smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc(/C=C(/C#N)C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 920289782 BSDHWFOFGILZTH-OLROSQPISA-N 472.542 1.902 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c(C)nn(C)c1C 1084491119 KLJDLZUSYIZSLL-UHFFFAOYSA-N 464.559 1.850 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNS(=O)(=O)c3cc(C)c(C)cc3OC)cnc2s1 1860770346 DYBVGEQRXGPMRC-UHFFFAOYSA-N 450.542 1.656 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B(O)O)cc2)CCN(Cc2ccccc2)CC1 2205493690 BAPOJNROFDXMCS-UHFFFAOYSA-N 467.375 1.542 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cscc1B(O)O)OCc1ccccc1 2243433946 SAUZHATZSZRESD-UHFFFAOYSA-N 456.351 1.075 50 10 JDGE Cc1cc(B(O)O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)s1 2255774972 UMPSZIFSSFMJEF-UHFFFAOYSA-N 469.369 1.581 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B(O)O)cc2C1 2268646865 VWXWBBUIBOEIMK-GOSISDBHSA-N 473.404 1.338 50 10 JDGE CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc2[N+](=O)[O-])CC1 748281211 YHAYBDCTWGRLLY-FQEVSTJZSA-N 453.455 1.028 50 10 JDGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 1562199204 RBTOEFYAGBHIJB-MRXNPFEDSA-N 454.483 1.982 50 10 JDGE OB(O)c1cc(I)c(OC(F)(F)F)c(I)c1 2060033997 BIMPONHVDYVXHT-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(F)c(B(O)O)c1)OCc1ccccc1 2255885823 WWJXNBMFDDMTHD-UHFFFAOYSA-N 468.312 1.153 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2283952943 NMOJMWBTNGKHJA-UHFFFAOYSA-N 487.431 1.912 50 10 JDGE COc1ccc(-c2nnn(CC(=O)NNC(=S)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1OC 3917359 FXNREGLBYOPUNF-UHFFFAOYSA-N 492.905 1.937 50 10 JDGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNC(=O)c3cc(C)oc3C)cc2)CC1 728135020 SEICQERFWMZGCG-UHFFFAOYSA-N 471.558 1.626 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 748279312 JLTMXRZXFFHNTO-HXUWFJFHSA-N 459.524 1.441 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCN(CC3CC3)CC2)cc1 920853980 ICANGSLUOJEABZ-ZHZULCJRSA-N 462.554 1.895 50 10 JDGE C=CCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)nn1 1618331148 XZPQELWSEALVAK-UHFFFAOYSA-N 454.512 1.957 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C1 1872962021 OJBDVNLQMACPMD-MOPGFXCFSA-N 453.518 1.994 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 2243685285 QXBZGVNHDCYCFF-CQSZACIVSA-N 465.340 1.881 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccccc1B(O)O 2267614223 KXPPDKHGSJOQLB-UHFFFAOYSA-N 466.368 1.116 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ncc(B(O)O)s2)CCN(Cc2ccccc2)CC1 2268634733 JXKRINGLTOLAHE-UHFFFAOYSA-N 474.392 1.711 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283950762 OPDCYJOQCXYHOE-XMMPIXPASA-N 469.347 1.483 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCN(CCCCl)CC1 2366449865 FCSOUNKMDSZGIO-FQEVSTJZSA-N 459.971 1.977 50 10 JDGE COCCNC(=O)/C(C#N)=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 102863264 PZVRIVWLPZASPL-XLNRJJMWSA-N 486.576 1.995 50 10 JDGE COc1ccc(C=NNC(=O)C[C@H]2C(=O)NN=C3c4ccccc4N=CN32)c(C(=O)O)c1OC 606348320 BGOROOMIPFVKTE-HNNXBMFYSA-N 464.438 1.078 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(Cl)ccc1B(O)O 704306014 MQYUUNOBKGYPOQ-UHFFFAOYSA-N 450.709 1.084 50 10 JDGE C#CCOc1ccc(Br)c(C=NNC(=O)CNS(=O)(=O)c2ccccc2)c1 1084058437 KXWQBFUCGIYWKB-UHFFFAOYSA-N 450.314 1.890 50 10 JDGE Cc1nc(I)c(I)n1C[C@@H]1CC[C@@H]1C(=O)NN 2215776148 LCIJDCDPWMIMHT-BQBZGAKWSA-N 460.057 1.417 50 10 JDGE Cc1sc(B(O)O)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2267083450 AHTCVIHJDIHMGG-GOSISDBHSA-N 473.404 1.588 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B(O)O)ccc1F 2268634962 LZZRSXNDMVSGBZ-MGPUTAFESA-N 460.311 1.620 50 10 JDGE CN1CCC(CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2352949324 CKOZKGIYUOQNBS-SFHVURJKSA-N 490.395 1.790 50 10 JDGE COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)/C(C#N)=C(\C)N 9630365 QCRCYCSMSIFJIU-NBVRZTHBSA-N 455.492 1.929 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3cccc(OC)c3OC)nnn2-c2nonc2N)c1 254595258 JGEZVLOCYCVJJQ-UHFFFAOYSA-N 464.442 1.689 50 10 JDGE C=CCN1C(=N/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@H]21 254877705 OFLMKAIZSDCAEC-AORRZOHPSA-N 490.607 1.526 50 10 JDGE NNC(=O)c1ccc(Cn2cnc(I)c2I)nc1 310715271 NFGFZRDGVKDMGJ-UHFFFAOYSA-N 469.024 1.139 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cccc2ncccc12)c1ccc(S(C)(=O)=O)cc1 1144839968 BVNYGBJLDYKGLT-JOCHJYFZSA-N 454.508 1.451 50 10 JDGE O=C(NNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Br)cc1 1322349189 MWCWHHRIJGHDNR-UHFFFAOYSA-N 474.358 1.612 50 10 JDGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)CSc2ccccc2OC)ccc1F 1446269995 WYLHVTNPHQANCI-UHFFFAOYSA-N 453.517 1.852 50 10 JDGE C=C(C)C[C@H](NC(C)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1628561592 KVOQNAQLVDRMAX-FQEVSTJZSA-N 458.540 1.397 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(OCCCBr)CC1 2026350511 AZZWUVWLXAUDNK-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE O=S(=O)(NCCn1cnc(I)c1)N1CCC(Br)CC1 2228837659 QMYOADKYQGHXIJ-UHFFFAOYSA-N 463.139 1.181 50 10 JDGE COc1ccc(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1 2268639052 MADZSKXZXPXTKN-FQEVSTJZSA-N 457.336 1.339 50 10 JDGE Cc1cc2c(c(=O)n1CCN(C)C)[C@@]1(C(=O)N(C[C@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39919023 HAXIKPBTYMNHAI-QUGAMOGWSA-N 475.549 1.616 50 10 JDGE O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cccn1-c1cccc(I)c1 109424260 VLOZJZPHAQRUGO-LBPRGKRZSA-N 487.319 1.668 50 10 JDGE CCOc1cccc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)c1OC 169891801 SKHBZBHAAXNASJ-SLCIXIPPSA-N 455.496 1.849 50 10 JDGE Cc1oc(Cn2cnc(I)c2I)cc1C(=O)NN 310638578 BJBZXLWLALUGGK-UHFFFAOYSA-N 472.024 1.646 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NN=c3cc[nH]c4ccccc34)cc2)CC1 1641772877 BJEFWQUBADDMIV-UHFFFAOYSA-N 453.524 1.266 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1Cc2ccc(B(O)O)cc2C1 2268680274 LDNJYKGRMZVHHH-NRFANRHFSA-N 454.332 1.709 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCc3sc(B(O)O)cc3C2)C1 2284144223 VQLDVVWJGHGTLB-UHFFFAOYSA-N 486.399 1.767 50 10 JDGE Cc1c(B(O)O)cccc1C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2282153979 AWGRUEYRRCERLH-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=O)[C@@H](C)Sc1nnc(O)nc1O 2323164366 WAZVXLOEQCEHMY-SECBINFHSA-N 452.449 1.619 50 10 JDGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cncc(C(=O)N[C@@H](C)C(=O)OC)c2)cc1 2331123982 XPNAFFLSYQULJG-HNNXBMFYSA-N 452.467 1.944 50 10 JDGE CCc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)c(Br)c1 14645299 WSXROLFFXNESOY-UHFFFAOYSA-N 490.376 1.382 50 10 JDGE Cc1cc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)cc2)n(-c2nnc(C)c(=O)[nH]2)n1 169921396 HIJPHBFSGVWCIG-CFRMEGHHSA-N 457.450 1.951 50 10 JDGE O=C(NN=Cc1cnn(-c2ccccc2)c1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 254304312 XTRGPMNCVYAZBY-QUCCMNQESA-N 473.942 1.800 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 748279398 IPLHOOZNHUJJGD-PZJWPPBQSA-N 471.535 1.584 50 10 JDGE COc1cc(C=NNc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc(OC)c1OC 1084474347 PDJQBWGNGFOYCU-LLVKDONJSA-N 477.547 1.705 50 10 JDGE CCOc1cc(C=NNC(=O)c2nonc2C(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O 1084600526 QGUAGHILAHWMIB-UHFFFAOYSA-N 482.453 1.806 50 10 JDGE C#CCOc1ccccc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1468848047 LZTPGFIAHUHAIL-UHFFFAOYSA-N 456.524 1.627 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)CI)OCC12CCC2 1983329351 ITBJLYJJNGAETF-NSHDSACASA-N 460.334 1.857 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@H]21 2040596368 MURNAZBIEQEWIS-IXDOHACOSA-N 471.373 1.877 50 10 JDGE CC(C)(C)OC(=O)N(CCN=c1ccc(B(O)O)c(C(F)(F)F)[nH]1)OCc1ccccc1 2223642945 PJEYGDWHPHBBSF-UHFFFAOYSA-N 455.242 1.983 50 10 JDGE Cc1oc(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2255719520 KQLOHGPTFNOTGJ-UHFFFAOYSA-N 453.301 1.113 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B(O)O)cc2C1 2268656601 YTZXWOPAABXOIJ-IERDGZPVSA-N 454.332 1.707 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ncc(B(O)O)cc2Cl)C1 2281884278 RIWLBIUTXBJGOI-SFHVURJKSA-N 488.781 1.266 50 10 JDGE O=C1OC(=O)[C@@H]2CN(S(=O)(=O)c3cc(Br)sc3Br)CC[C@H]12 159413916 QGBUJBYTBLJNKA-NTSWFWBYSA-N 459.137 1.983 50 10 JDGE C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)NNC(=O)OC(C)(C)C 213097150 SNLDOLGYCJWVFX-GJZGRUSLSA-N 493.561 1.257 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 254666588 BTAKLZWLIKKEGM-UHFFFAOYSA-N 477.397 1.690 50 10 JDGE O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)C1=COCCC1 730769950 SJOYEZAJQXAPJH-UHFFFAOYSA-N 484.578 1.648 50 10 JDGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1628170895 GTKMTDXWRBYOBW-GFCCVEGCSA-N 459.956 1.777 50 10 JDGE C[C@@H](C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873777816 STEZRELTNCRYBJ-ZFWWWQNUSA-N 465.466 1.146 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNS(=O)(=O)N2CCC(Br)CC2)C1 2237819809 HPMVWSDEPDIEKL-DYVFJYSZSA-N 468.414 1.706 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2247895462 SRBGMZQKYRAGNS-UHFFFAOYSA-N 466.390 1.547 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2256679762 ZEOUFJPNGOKIOS-SFHVURJKSA-N 462.377 1.805 50 10 JDGE CC[C@@]1(NS(=O)(=O)c2ccc(B(O)O)s2)CCCN(C(=O)OCc2ccccc2)C1 2282709768 ZJFOTUPXHMBSTH-LJQANCHMSA-N 452.363 1.288 50 10 JDGE CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)CSc2nnc(N)s2)cc1OC 40947138 BTCDOISOZMGBLZ-AWQFTUOYSA-N 452.562 1.619 50 10 JDGE CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)NN=Cc1ccc(C(F)(F)F)cc1 254615933 YHIKAXZNJMMTHC-UHFFFAOYSA-N 451.413 1.857 50 10 JDGE CC(CBr)(CBr)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703971591 WQNMPWFOGXWVCG-UHFFFAOYSA-N 468.167 1.751 50 10 JDGE OB(O)c1cc(I)c(OC(F)(F)F)cc1I 2060037131 XKCTWOWKAFXUKS-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE C[C@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)CCS1(=O)=O 2179778620 FGUZEPGSCGKTQA-ZETCQYMHSA-N 451.158 1.745 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cccc(B(O)O)c2)C1 2266967060 GQYJOZCVUOGJQX-OAQYLSRUSA-N 453.348 1.218 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(B(O)O)cc2Cl)C1 2267626527 JWFCKLFOWSJSHU-UHFFFAOYSA-N 496.778 1.762 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1cc(B(O)O)ccc1Cl 2268639527 QDUOUCVOKQYGQH-SFHVURJKSA-N 476.722 1.985 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc21 2268654740 CXXKTFBXFJQRSE-KKSFZXQISA-N 454.332 1.754 50 10 JDGE O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1 9662329 DQBLDOLVVADTDT-KRWDZBQOSA-N 465.915 1.498 50 10 JDGE C=CCS(=O)(=O)CCNC(=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 1469509229 ZQOJAGPIDYYKIK-OAQYLSRUSA-N 456.568 1.545 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1775955289 GRDUQQNEXMJRRS-FLXSYLCISA-N 498.282 1.198 50 10 JDGE in-vitro COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c(OC)c1 1860769781 HYXXKLFRLYRMBX-ZDUSSCGKSA-N 470.551 1.990 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ncc(Br)cc2B(O)O)CCC1(F)F 2240333803 NXTTYZCOKSZTSV-GFCCVEGCSA-N 450.089 1.653 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCCc2ccccc2B(O)O)C1 2284142133 ICNGVRSYPLJFEP-UHFFFAOYSA-N 468.359 1.479 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2CCOCCI)CC1 2351599443 OQSQAJPBHHTJQA-HNNXBMFYSA-N 481.375 1.982 50 10 JDGE COc1cc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc(OC)c1OC 12569864 FRVASQGPBNNDJL-UHFFFAOYSA-N 474.539 1.445 50 10 JDGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 40890074 MABJHGJWZGPMLP-GHRIWEEISA-N 477.473 1.956 50 10 JDGE CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)C(Cl)Cl)CC3)c2)CC1 95924696 AXGJWESETPCHAK-UHFFFAOYSA-N 479.430 1.474 50 10 JDGE COCCNC(=O)/C(C#N)=C\c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O 102863365 NPARPQSCMPMKCO-JZJYNLBNSA-N 472.549 1.999 50 10 JDGE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)CI)C1 2007717670 FHDHXYULKGIJDS-NSHDSACASA-N 475.349 1.062 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCN2C[C@@H](Br)C[C@@H]2C1 2029232350 HMLAGQRFPKGFTJ-LSDHHAIUSA-N 470.389 1.546 50 10 JDGE Cc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Br)sc1Br 2121367733 JHKNKSMGFAKEAF-NKWVEPMBSA-N 453.199 1.658 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(B(O)O)cc2)C1 2266980111 TWWZQDBIBBBUQQ-OAQYLSRUSA-N 453.348 1.218 50 10 JDGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268646834 VMUWMDSTYVMYNP-APWZRJJASA-N 475.420 1.973 50 10 JDGE OB(O)c1cc(OCc2cc(I)ccc2Br)ncc1F 2370028609 DXUQCPHMRGVKHI-UHFFFAOYSA-N 451.826 1.847 50 10 JDGE CC(=NNC(=O)c1ccccc1Br)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916247750 XUMUXQBUMWRDPT-UHFFFAOYSA-N 454.302 1.966 50 10 JDGE Cc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)NCC#N 1318338409 JQMXQSUWKFVKCA-UHFFFAOYSA-N 451.302 1.634 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@@H](C)C1)c1cccc(Br)c1 1638063751 ZZLICXVTBHELCU-LXIYXOSZSA-N 455.353 1.273 50 10 JDGE Cc1nc(I)c(I)n1C[C@H]1CC[C@H](C(=O)NN)C1 2061289786 XASKTHWNZDIEIS-YUMQZZPRSA-N 474.084 1.807 50 10 JDGE CC1(C)S[C@H]2[C@H](NC(=O)C(C#N)=Cc3ccc(Br)cc3)C(=O)N2[C@H]1C(=O)O 2329658797 UJENERZGQQLCSS-WWGRRREGSA-N 450.314 1.988 50 10 JDGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc(N(C)C)cc2)nnn1-c1nonc1N 254573055 YSFNNVZVBIIIKD-CQSZACIVSA-N 452.523 1.437 50 10 JDGE COC(=O)C1=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 254872696 SRKQWRGMYXJBBK-HXUWFJFHSA-N 475.526 1.528 50 10 JDGE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2cccc(Cl)c2)cc1 772420183 VFNJZIBFPMRQNY-UHFFFAOYSA-N 453.904 1.321 50 10 JDGE Cc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)cc1 1084355541 GHQWPMNIYVQRNH-UHFFFAOYSA-N 475.527 1.656 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC[C@H]1CBr 2000543799 NOCPEVTZIIODME-ZLENFMNRSA-N 463.325 1.340 50 10 JDGE COc1cc(C=CC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1OC 2040436737 XMNJNZGCLLMBJK-UHFFFAOYSA-N 463.512 1.437 50 10 JDGE CC(C)[C@@H](CBr)N(Cc1ccccc1)S(=O)(=O)N1CCS(=O)(=O)CC1 2045266300 YBRXFKSXLGVAAK-MRXNPFEDSA-N 453.424 1.883 50 10 JDGE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106304939 KHEFPGPYTBTPTJ-KGLIPLIRSA-N 456.403 1.705 50 10 JDGE Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1Br 2121367150 FRWPMLPNEFFXRQ-RQJHMYQMSA-N 453.199 1.658 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)Cc1ccc(B(O)O)cc1)OCc1ccccc1 2255885750 VJWPUCCSTBLYSL-UHFFFAOYSA-N 464.349 1.155 50 10 JDGE N#CC(=Cc1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 2296718432 CHHYBXRHVBQENI-INIZCTEOSA-N 450.476 1.697 50 10 JDGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623574 KSZYNJYVUQNNNC-IBGZPJMESA-N 484.578 1.786 50 10 JDGE COc1cc(/C=N/NC(=O)[C@@H](C)Sc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1 169890585 RFFIUGRKSPDARO-XIJPWPHISA-N 455.496 1.677 50 10 JDGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3CCCC3)c3ccccc32)cc1OC 254753484 KJNGGVSPKUXKDI-UHFFFAOYSA-N 465.510 1.975 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(C(=O)OC)cc3)nnn2-c2nonc2N)cc1 254873437 MBNGOVCUWKDGAM-UHFFFAOYSA-N 476.453 1.849 50 10 JDGE O=C(CNC(=O)C1CCCCC1)NN=Cc1ccc(C=NNC(=O)CNC(=O)C2CCCCC2)cc1 1083866601 AENNMMNPKRHILG-UHFFFAOYSA-N 496.612 1.980 50 10 JDGE CC(=O)C(C)(C)CCC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1540405824 ZQLVWOWHQSCUPA-UHFFFAOYSA-N 453.561 1.183 50 10 JDGE CO[C@@H]1C[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2014104961 PFYRXZGTXZGESL-UHOFOFEASA-N 459.362 1.923 50 10 JDGE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NS(=O)(=O)N1CCC(Br)CC1)C2 2162591518 LLNOHADJEYXDLU-AXOLYNHLSA-N 468.414 1.895 50 10 JDGE C[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268633872 VGWUAZOGVPLZCV-UTKZUKDTSA-N 455.364 1.569 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2c(F)cc(B(O)O)cc2F)CCN1C(=O)OC(C)(C)C 2282247820 KWYRPEVKFFGTPK-UHFFFAOYSA-N 485.293 1.490 50 10 JDGE C[C@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1ccc(B(O)O)cc1 2284137636 QROPYVCYWFLMDI-SFHVURJKSA-N 468.359 1.998 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(CCOCCI)CCN2C1=O 2306803265 WWSUTGVMDVXVFA-QWHCGFSZSA-N 453.321 1.248 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2CCOCCI)CC1 2351599444 OQSQAJPBHHTJQA-OAHLLOKOSA-N 481.375 1.982 50 10 JDGE C/C(N)=C(/C#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 25666487 VVBXTYOPHAANSE-WSYSLRRZSA-N 458.334 1.621 50 10 JDGE CN(C)C[C@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716778945 MSAMHROIDGEXCH-ZDUSSCGKSA-N 460.394 1.553 50 10 JDGE C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)Nc2ccc(Br)cc2Cl)C1=O 1617609610 OUYGCHWFJJQALS-UHFFFAOYSA-N 458.656 1.232 50 10 JDGE Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Br)cc1I 2224629878 RAEQYORAGQOADV-MWLCHTKSSA-N 458.115 1.890 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2cc(B(O)O)ccc21 2268610125 PSFJGSHOIWLJKM-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(NC=C2C(=O)N(CCCN3CCCC3=O)C(=O)C(C#N)=C2C)c1 2296535477 JFPUTBFQSAMGFD-UHFFFAOYSA-N 494.504 1.777 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(N3CCC(C)CC3)nc12 2296545504 WISICRYVALTLSE-SFHVURJKSA-N 469.567 1.450 50 10 JDGE C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 25720671 LANCGODCGYZJLX-JMCNQOKGSA-N 455.920 1.620 50 10 JDGE C[C@@H](Sc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 169890917 SIWQHJOAVUXHAW-WMJRALALSA-N 457.443 1.447 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(S(=O)(=O)CBr)C1 1962844633 HHQBTHOISHNNGE-UONOGXRCSA-N 468.414 1.896 50 10 JDGE CN(C)C[C@@H]1C[C@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2122389558 FCIOMEVEWGCLKK-CKFHNAJUSA-N 490.395 1.740 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)cc1 2268654464 ZSLDVLQDOBYZNX-UTKZUKDTSA-N 456.348 1.823 50 10 JDGE COCCCNC(=O)CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 1084383817 GYGLFWAIPUCTDS-UHFFFAOYSA-N 456.499 1.706 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=S)N[C@H](C)C2CC2)cc1 1628056005 NZRDUQWCERBKKK-ACJLOTCBSA-N 452.602 1.726 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(S(=O)(=O)CBr)C1 1962844634 HHQBTHOISHNNGE-ZIAGYGMSSA-N 468.414 1.896 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2116265894 AIJJQYSSIOICBQ-OCCSQVGLSA-N 456.403 1.298 50 10 JDGE CC(C)(C)OC(=O)N1CCC(CO)(NS(=O)(=O)N2CCC(Br)CC2)CC1 2133594191 MSYZMMPBCXRLES-UHFFFAOYSA-N 456.403 1.442 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCc3c(B(O)O)cccc32)CCN(Cc2ccccc2)C1 2284057614 BJBMWBJSBCPFMJ-VWLOTQADSA-N 465.359 1.425 50 10 JDGE COc1cc(OC)c([N+](=O)[O-])cc1C=NNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 254520781 JBNPVVLAHKTWSQ-UHFFFAOYSA-N 476.442 1.518 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2cccc(B(O)O)n2)C1 2268650021 MGLQRMSERMBUQP-QHCPKHFHSA-N 455.320 1.544 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N(CCCBr)C1CCOCC1 2307548461 SLWLASKMFVHKAQ-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE CCOc1cc(C=NNC(=O)CCc2nnc(O)nc2O)cc(Br)c1OCC 2323178374 UNKLTYJLLNWWIA-UHFFFAOYSA-N 454.281 1.926 50 10 JDGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13623367 NRMDKTGGCIMXIA-CQSZACIVSA-N 486.466 1.187 50 10 JDGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C\c3ccc(OCC(N)=O)cc3)cc2)n1 96438270 QFQPBCSOXROGLH-ATVHPVEESA-N 492.517 1.996 50 10 JDGE CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1)c1cccc(Br)c1 1558459268 RTXBZNSELXMPNB-DLBZAZTESA-N 453.337 1.027 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(CBr)C1 1981525274 OOASSMDXERFNEZ-HNNXBMFYSA-N 451.289 1.759 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1C[C@@H](CBr)CO1 1995957911 PMQHHKMONXLVSC-KBPBESRZSA-N 459.362 1.782 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)Cc2cccc(B(O)O)c2)C1 2267710724 AACRPJZLYVFGFG-UHFFFAOYSA-N 476.360 1.249 50 10 JDGE O=C(NOCCCNC(=O)c1cc(B(O)O)c(O)cc1O)OCC1c2ccccc2-c2ccccc21 2267809111 HOMZKWPARQIZHQ-UHFFFAOYSA-N 492.293 1.368 50 10 JDGE COc1ccc(NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(B(O)O)c1 2268601998 FEEWBTJBHMOPQF-UHFFFAOYSA-N 457.336 1.340 50 10 JDGE COc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)ccc1B(O)O 2289569626 DAVRDBPUVYJCHB-KKSFZXQISA-N 472.347 1.490 50 10 JDGE Cc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)[C@H](C)Cl)CC3)n2)CC1 35926429 UEHPKNYRHOUXQK-SFHVURJKSA-N 458.994 1.676 50 10 JDGE C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)c2ccccc21 39919038 GBKLICFSYYSKPU-HHHXNRCGSA-N 487.560 1.784 50 10 JDGE CCOc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc(Br)c1OCC 169892516 UNKLTYJLLNWWIA-DJKKODMXSA-N 454.281 1.101 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)c1ccc(Br)cc1F 300085521 IJXQNOFMVTVSDS-MRVPVSSYSA-N 466.066 1.843 50 10 JDGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 1084512651 OEFKKRPSJJMTGC-UWJYYQICSA-N 452.511 1.688 50 10 JDGE Nn1c(SCC(=O)NN=Cc2ccc(O)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084549478 YHMJCJHWVUVILA-UHFFFAOYSA-N 458.416 1.423 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NCc1ccco1 1084592821 VRNYBWKRJRUKNH-UHFFFAOYSA-N 465.422 1.972 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ccc(Cl)cn3)ccc2F)CC1 1454143053 DKSXSRWVCVYAJK-UHFFFAOYSA-N 455.899 1.484 50 10 JDGE C/C(=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1cnccn1 1463677778 YWJFPOQRDMEILQ-VBKFSLOCSA-N 451.508 1.820 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(CS(C)(=O)=O)cc4)c(=O)c23)C1 1860770232 YQHDTIPWZVXBRD-ZDUSSCGKSA-N 488.591 1.589 50 10 JDGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)COc1ccccc1)CCC2 40815943 NIIXSXCNBOVZJW-LGUFXXKBSA-N 454.527 1.886 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3ccc(S(=O)(=O)O)cc3)CC2)cc1 216951493 OFSGYYAABZEPTA-ICFOKQHNSA-N 490.563 1.594 50 10 JDGE C[C@@H]1[C@H](OC(=O)CCC(=O)NN2CCOCC2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254499765 FBQSKFBDDWKIAP-CHCKIVMRSA-N 468.547 1.881 50 10 JDGE CCS(=O)(=O)N1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 748055180 BVIBRVMXQYCWTF-CYVLTUHYSA-N 452.540 1.865 50 10 JDGE C=CCCCNC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1227704612 VPUCKPQTLGDOLW-INIZCTEOSA-N 454.549 1.249 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NN=c3cc[nH]c4cccnc34)CC2)c1 1634220954 QVUBUIVCEGNOBR-UHFFFAOYSA-N 453.524 1.798 50 10 JDGE C=Cc1ccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1682577464 LBZVWBFCEIUQCM-UHFFFAOYSA-N 458.540 1.537 50 10 JDGE COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1[N+](=O)[O-] 1872962641 VKQPFHUOJVYJOO-HZPDHXFCSA-N 482.497 1.733 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC[C@H]1CBr 1942681728 RBSNACXVBZNQDV-DOMZBBRYSA-N 459.362 1.638 50 10 JDGE NNC(=O)c1ccc(Cn2cnc(I)c2I)cn1 2056630329 DRKZYJSPWHTHFA-UHFFFAOYSA-N 469.024 1.139 50 10 JDGE C[C@@H](Cl)CN1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2176856213 QIJOWNKYVJVMAC-QRWLVFNGSA-N 459.971 1.976 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2cc(B(O)O)ccc2C1)Cc1ccccc1 2284018800 XAZTXXZGUZZPDT-UHFFFAOYSA-N 467.375 1.278 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCc3cccc(B(O)O)c32)C1 2284137506 ORISIGADPJMVGC-UHFFFAOYSA-N 466.343 1.709 50 10 JDGE N#CC(=Cc1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2296732306 SWEGBEXZQDSAIZ-UHFFFAOYSA-N 463.519 1.735 50 10 JDGE O=C(CCC(=O)NNc1nc2ccccc2c2nc(-c3ccccc3)nn12)NCCN1CCOCC1 20286976 SCRNOJHDZVZURV-UHFFFAOYSA-N 488.552 1.616 50 10 JDGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1cccnc1 40659032 GGDPBJIGPOZVFW-UHFFFAOYSA-N 478.469 1.588 50 10 JDGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1 254382056 QSVMTWWXHPICQM-UHFFFAOYSA-N 453.507 1.627 50 10 JDGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2025202736 DVURRCOGUHWFTA-KRWDZBQOSA-N 458.323 1.952 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185508415 GDAQLIQFUSXNNG-SJORKVTESA-N 455.378 1.969 50 10 JDGE Cc1cc(NC(=O)[C@@H]2C[C@H]2Br)c(I)cc1S(N)(=O)=O 2231926046 QKYUAWVXVJOPOY-RNFRBKRXSA-N 459.103 1.969 50 10 JDGE CN(Cc1sccc1B(O)O)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2256638329 DWDRFIZXEFCKPG-UHFFFAOYSA-N 461.393 1.413 50 10 JDGE COc1cc(B(O)O)ccc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2267258201 HSDVOIGSZZWPCG-UHFFFAOYSA-N 490.321 1.965 50 10 JDGE CN(Cc1ccc(B(O)O)cc1)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268681481 SRVVHAPKLLQJBE-UHFFFAOYSA-N 455.364 1.352 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2CCOCCI)C1 2326642418 SFSOQMRZFSSHBX-QGZVFWFLSA-N 470.348 1.776 50 10 JDGE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)NNC(=O)c1ccccc1 59813275 JEJDDXRMQIIBGO-DJKKODMXSA-N 456.444 1.418 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)cc1OC 254876797 VEMDSDXFKOYIAC-UHFFFAOYSA-N 479.413 1.589 50 10 JDGE O=C(CCCc1ccccc1)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 727721289 CEARGFOBZKKKRA-UHFFFAOYSA-N 451.570 1.804 50 10 JDGE COCCCNC(=O)CC(=O)NN=Cc1ccc(OCC(=O)NCCc2ccccc2)cc1 1084339542 FZRFFNFKIKFMAA-UHFFFAOYSA-N 454.527 1.417 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ncc(F)cc3F)ccc2F)CC1 1638486361 CJMZULIVMIPSBM-UHFFFAOYSA-N 457.434 1.109 50 10 JDGE Cc1nc(I)c(I)n1Cc1nc(C(=O)NN)cs1 2028586083 NHPZLIVUODYGBB-UHFFFAOYSA-N 489.080 1.509 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H](CBr)C1 2046018616 JQUUDMPSFYSXDG-SCLBCKFNSA-N 477.352 1.684 50 10 JDGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N[C@@H](CB(O)O)C(=O)O)c1 2124537599 ZXWWVIYQBRHDSS-NSHDSACASA-N 478.048 1.294 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2sccc2B(O)O)CCN(Cc2ccccc2)C1 2256612965 HEDRQAUVSCNMAG-JOCHJYFZSA-N 459.377 1.214 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256673179 RHURSLGJIBNDKW-QGZVFWFLSA-N 462.377 1.853 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(B(O)O)c(Cl)s2)C1 2267086688 IUGXQLJXMXJSCK-MRXNPFEDSA-N 493.822 1.933 50 10 JDGE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2CCOCCI 2326640094 AIWGSCLSEMINJU-UHFFFAOYSA-N 467.348 1.640 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B(O)O 2351780339 FLVXDPOPDQFXIT-IBGZPJMESA-N 463.290 1.608 50 10 JDGE COc1ccc(OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011378 HVDSYOKWALDZDL-UHFFFAOYSA-N 459.524 1.662 50 10 JDGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3cccnc3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594108 DLBRBKKTSYDZAX-UHFFFAOYSA-N 467.398 1.854 50 10 JDGE COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1[N+](=O)[O-] 1872962642 VKQPFHUOJVYJOO-JKSUJKDBSA-N 482.497 1.733 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@H](CBr)C(F)(F)C1 1937078237 BSZCHXRLXORDGI-LLVKDONJSA-N 451.289 1.965 50 10 JDGE CC(C)(C)OC(=O)N1CCCN(CCNS(=O)(=O)N2CCC(Br)CC2)CC1 2168295871 LVGQMZCUXLGQHN-UHFFFAOYSA-N 469.446 1.623 50 10 JDGE Cc1ncnc(N2CCN(CCOCCBr)CC2)c1I 2365435571 DMCFOGROTRUHLQ-UHFFFAOYSA-N 455.138 1.923 50 10 JDGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40659221 DPJMNSKOYZDHSA-UHFFFAOYSA-N 482.413 1.501 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(OC)cc1 1080323723 RRAGSKZXPTWQCU-GOSISDBHSA-N 494.554 1.171 50 10 JDGE C#CCOCCNC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1312366854 OHJBACLMULFVFK-UHFFFAOYSA-N 458.540 1.410 50 10 JDGE O=C(N1C[C@H]2CC[C@H]1[C@@H]1CN(S(=O)(=O)CI)C[C@H]21)C(F)(F)F 1983328450 XKOCYXSRDQRBMQ-KYXWUPHJSA-N 452.236 1.440 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2010993546 NEXGBWFHKWUTON-KRXQYRFLSA-N 459.337 1.913 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2163050386 JJWNLMKUFBBXSS-KRWDZBQOSA-N 468.414 1.802 50 10 JDGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)CC1 2163055871 MANCIEAZPLDJEO-AREMUKBSSA-N 489.458 1.656 50 10 JDGE O=C(NOCCCNC(=O)c1occc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243365228 JWAAFHAPKKBIAX-UHFFFAOYSA-N 450.256 1.550 50 10 JDGE COc1ccc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2247759760 WGUPZGWPNQBKET-UHFFFAOYSA-N 460.295 1.644 50 10 JDGE Cc1nc(NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)ncc1B(O)O 2302870867 CTTSCEXUUANFLW-UHFFFAOYSA-N 458.283 1.475 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)c(B(O)O)cc2O)CCN1C(=O)OC(C)(C)C 2364887587 RVLLOXPWHNAZCX-UHFFFAOYSA-N 483.302 1.056 50 10 JDGE COc1cccc(/C=N/NC(=O)Cn2c(NCCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 606630660 YUYAEEYZEHYKMS-JFLMPSFJSA-N 489.536 1.247 50 10 JDGE CN(C)C[C@H](Br)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 690328636 SBBWTUDGUQETDV-AWEZNQCLSA-N 474.421 1.896 50 10 JDGE COC[C@](C)(CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046031150 CWXOXXVUDRCNSW-MSOLQXFVSA-N 479.368 1.978 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC12CC(CBr)(CO1)C2 2108230230 IFPWLEOWIMJFBB-VIQWUECVSA-N 489.363 1.874 50 10 JDGE CO[C@H]1[C@@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1OC 2225079566 CQLSFQBQSMJRTH-ZACQAIPSSA-N 489.388 1.502 50 10 JDGE Cc1sc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c(C)c1B(O)O 2287643168 IKXWYMUMCLHQOU-UHFFFAOYSA-N 497.423 1.631 50 10 JDGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2324196852 ONOBCDIAQLCEQI-UHFFFAOYSA-N 470.507 1.826 50 10 JDGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCC#N 59247075 OJYMRKKTOCDXSM-RGVLZGJSSA-N 472.283 1.375 50 10 JDGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CN2CCOCC2)cc1OC 254735380 AMTABDFCRAIYPJ-UHFFFAOYSA-N 456.499 1.504 50 10 JDGE COc1cc(C2=NNC(=O)CC2)ccc1NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1858079621 JKOJSOFNWFOMFG-UHFFFAOYSA-N 487.538 1.087 50 10 JDGE Cc1cc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)ccc1B(O)O 2255889026 ZOQKZDRASOZSNF-UHFFFAOYSA-N 452.385 1.998 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B(O)O)cc2)CCN(Cc2ccccc2)CC1 2281770664 BEHGZXYTHXHBHI-UHFFFAOYSA-N 467.375 1.656 50 10 JDGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(B(O)O)cn1C1CC1 2282308971 YOXSDNTXLBYMIB-UHFFFAOYSA-N 459.355 1.704 50 10 JDGE CCOc1c(Br)cc(C=NNC(=O)CCNc2nnc(O)nc2O)cc1OC 2323190099 HXHSWFYVQBWFHS-UHFFFAOYSA-N 455.269 1.405 50 10 JDGE CCOC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OC)c1 32939111 WFBHUSZOCLORBA-FVIRYLMMSA-N 489.553 1.918 50 10 JDGE CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1 1084361297 ZLLRPAJEWURJDO-UHFFFAOYSA-N 472.567 1.994 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)NC[C@H]1C[C@@H](Br)C1)NC(=O)OCc1ccccc1 2249442400 LOHBOWLYQLVCLY-QLFBSQMISA-N 463.350 1.547 50 10 JDGE COc1ccc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1B(O)O 2255755461 PPYVIOPYUZAPJT-UHFFFAOYSA-N 464.349 1.091 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1B(O)O 2256627398 AFFXOAKFMDOQOH-LJQANCHMSA-N 461.755 1.984 50 10 JDGE COc1ccc(B(O)O)c(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1 2266940670 MJJMDZMGGNNZFU-UHFFFAOYSA-N 490.321 1.965 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)NCc1sc(Cl)cc1B(O)O 2303772023 DAKOXULEOSILJF-OAHLLOKOSA-N 468.768 1.808 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCO[C@]2(CBr)C1 2333938829 ZQSHMVATOBWWHT-MJXNMMHHSA-N 489.363 1.826 50 10 JDGE Cn1cc(C(=O)NN)c(COc2cc(Br)cc(I)c2)n1 2364067032 RLNOEPWBRYWNRI-UHFFFAOYSA-N 451.062 1.970 50 10 JDGE CCOc1cc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)ccc1OC 169891670 KFSOKPNHYWCPGI-SLCIXIPPSA-N 455.496 1.849 50 10 JDGE C[C@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(N2CCCC2=O)cc1 728950398 MTTGPRVOKXKPHW-INIZCTEOSA-N 451.531 1.911 50 10 JDGE C=CC(C)(C)CC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1182183265 JFTGLJRMRWYUGY-INIZCTEOSA-N 453.561 1.702 50 10 JDGE CCN(CC)CCCCN1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961032 HOZMLBGFXZRXIK-WOJBJXKFSA-N 458.607 1.734 50 10 JDGE Cc1sc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(C)c1B(O)O 2267033770 QJVRRTVPEKSTDP-UHFFFAOYSA-N 485.412 1.536 50 10 JDGE Cc1cc(S(=O)(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)sc1B(O)O 2282731188 NOSXARCKKDWQSN-UHFFFAOYSA-N 452.363 1.063 50 10 JDGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Br 2338687695 BJXCRLRGIMLQEE-CRCLSJGQSA-N 479.976 1.235 50 10 JDGE O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)c1ccc(Cl)cc1 9362715 XRLVDPYRTWYRPX-UHFFFAOYSA-N 479.942 1.745 50 10 JDGE COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NNC(=O)COc2ccccc2C)c1OC 9633559 ZFKRVKKWRZIBHM-CMDGGOBGSA-N 450.469 1.499 50 10 JDGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)c(C)n1 2301664854 OPQSHIJWZRIPQX-NRFANRHFSA-N 460.299 1.721 50 10 JDGE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 9333502 TWFQTIJNNAMVPX-UHFFFAOYSA-N 453.904 1.321 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CCC3CCN(C(=O)CCl)CC3)nc2)OC1(C)C 204882128 LRIUEECVEKLXOL-UHFFFAOYSA-N 457.789 1.417 50 10 JDGE CCOc1cc(C=NNC(=O)C(=O)NCCCOC(C)C)cc(I)c1O 1084592816 UVRWKUWAJOQNMI-UHFFFAOYSA-N 477.299 1.777 50 10 JDGE COCC[C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541116 HPIHLBSGVUVVPW-SJKOYZFVSA-N 465.341 1.730 50 10 JDGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179826612 UXLOJUMCCDDRDH-CEXWTWQISA-N 458.422 1.923 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(B(O)O)cc1F 2281702569 VRASOJRGTKCBLX-UHFFFAOYSA-N 483.346 1.434 50 10 JDGE O=C(O)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2303595294 QZYQBVXCGJFSGW-CQSZACIVSA-N 461.334 1.611 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2scc(B(O)O)c2C1 2336493915 DVFTZGDAYRFFEE-QGZVFWFLSA-N 474.388 1.813 50 10 JDGE CC/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccccc1 34896700 SPLOXXHBMHVYHS-MTJSOVHGSA-N 453.492 1.197 50 10 JDGE COc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)[C@H](C)Cl)CC3)n2)CC1 35926260 JIZRIXZDCVXVFP-KRWDZBQOSA-N 474.993 1.377 50 10 JDGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1OC 58987644 MCQYVBMRYJGBKY-UFFVCSGVSA-N 457.472 1.827 50 10 JDGE COc1cc(/C=N/NC(=O)c2nonc2C(=O)N/N=C/c2ccc(O)c(OC)c2)ccc1O 59503391 QFZGUQKVRYMJPB-VGENTYGXSA-N 454.399 1.026 50 10 JDGE COC(=O)C1=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H](c2ccccc2F)C(C#N)=C1N 98064120 DLCSGALGAZAADG-PSXSOWLISA-N 451.454 1.680 50 10 JDGE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1227480585 VTRZOYLZXWTMJX-HKUYNNGSSA-N 450.561 1.786 50 10 JDGE C=C(C)CCNC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1682685409 GCMSPDAVAJKREA-INIZCTEOSA-N 454.549 1.249 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@H](CBr)C1 2000538556 HUEZIDMGKCIVSU-SJKOYZFVSA-N 463.325 1.436 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 2040475220 CPMYAPPOEULCFM-LJQANCHMSA-N 483.550 1.981 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nscc1B(O)O 2256621574 WODCNTCOHDXCBW-QWQRMKEZSA-N 463.365 1.499 50 10 JDGE Cc1cnc(OC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2259427941 CPFINWATDBIBIV-UHFFFAOYSA-N 451.329 1.305 50 10 JDGE CCN1CCN(C)[C@@H](Br)[C@H](N(C)C/C(=C\Cc2ccc(C(N)=O)cn2)OC)C1 642773993 HYLOJEDAZVINMX-KIQQWLQXSA-N 454.413 1.542 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@H](C)N4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860769766 HEQVKRWMMOPJSS-STQMWFEESA-N 493.545 1.415 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCOCCCI 1976716666 ANPZBYYHVJQDJH-UHFFFAOYSA-N 494.351 1.824 50 10 JDGE CS(=O)(=O)NC1CN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2179787416 OFGGCGCNMXONIL-UHFFFAOYSA-N 468.214 1.328 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B(O)O 2268635203 OQVFHLDTZRTEGB-UTKZUKDTSA-N 456.348 1.823 50 10 JDGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1C 2297335828 NOPBPLKLZHYBTB-UHFFFAOYSA-N 468.510 1.779 50 10 JDGE COc1cc(C=NNc2nc(SCC(=O)NNC(=O)C3CCC3)n[nH]2)cc(OC)c1OC 1084348357 RAAPOBNRJCRMAF-UHFFFAOYSA-N 463.520 1.316 50 10 JDGE C#C[C@H](CO)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1636623191 OCTJHLASPOMGAF-CRPZLVSXSA-N 456.300 1.205 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)Cn2nc(Br)c(Br)n2)c1 1644838311 RRRQKNIEASJNJQ-UHFFFAOYSA-N 458.139 1.802 50 10 JDGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c(OC)c1 1860770919 BUZUSLRCLSEPFN-UHFFFAOYSA-N 456.524 1.744 50 10 JDGE CN(C)[S@](=O)(=NS(=O)(=O)CI)N1CCN(C(=O)OC(C)(C)C)CC1 2007722501 SNZUQBRSEGNGLU-XMMPIXPASA-N 496.393 1.121 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2cc(B(O)O)c(Cl)cn2)CCN1C(=O)OC(C)(C)C 2252672775 BQGHZABMLSVHIB-UHFFFAOYSA-N 456.736 1.624 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccccc2B(O)O)C1 2266974356 QHPPFUCJDKWJQS-IBGZPJMESA-N 453.348 1.218 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)c1B(O)O 2282380203 FRSRKDAHXZCICF-INIZCTEOSA-N 452.363 1.124 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3ccccc3OCC(=O)O)nnn2-c2nonc2N)c1 254760725 DPFVOWUKWBKDNY-UHFFFAOYSA-N 478.425 1.135 50 10 JDGE CCOc1ccc(C(=O)NNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1OC 742939468 GQPIOBQIQIRPGZ-UHFFFAOYSA-N 471.558 1.869 50 10 JDGE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)cc1 1665968455 CDTLYLQLTYUYMD-UHFFFAOYSA-N 453.565 1.588 50 10 JDGE C[C@H](C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3)N1C(=O)c2ccccc2C1=O 1860771785 IALQIZURHXANGJ-CHWSQXEVSA-N 493.545 1.730 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1872962156 QMMWHJMPVVOPRO-HOTGVXAUSA-N 451.483 1.545 50 10 JDGE COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872962880 XZTITMUKDKJHPG-WOJBJXKFSA-N 495.580 1.872 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](CBr)OC2(CCC2)C1 2001280813 GQIOIAUNUZUGRT-ZDUSSCGKSA-N 457.346 1.631 50 10 JDGE CO[C@@]1(CBr)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024190 YNMLFTKHMHYJCU-QZTJIDSGSA-N 477.352 1.826 50 10 JDGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256679267 VMOZXDPXDUTKCN-GDBMZVCRSA-N 463.365 1.500 50 10 JDGE O=C(c1cc(I)sn1)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2265158531 NQHFSNFXFVVCSN-BWVDBABLSA-N 459.103 1.751 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2330879753 NLYHMPMUDBCXOB-BMYCAMMWSA-N 489.363 1.682 50 10 JDGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623634 QUUZCYLFHYQURI-VGMNTSGFSA-N 467.507 1.679 50 10 JDGE O=C(CC(=O)NN/C=C1\C=C(Br)C=CC1=O)NN/C=C1\C=C(Br)C=CC1=O 136554791 GYDDOFQPGPJDDY-GFULKKFKSA-N 498.131 1.221 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1cc(C)sc1C 254302912 GOHAVQLRGZCHRG-UHFFFAOYSA-N 473.548 1.486 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1C 1080323732 UISUGLRUQUGFLW-LJQANCHMSA-N 492.582 1.779 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCOC[C@@H]1CBr 2072950812 IDXOCQXOLMIHMF-PNPHSEOMSA-N 477.352 1.730 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CCO[C@]2(CBr)C1 2223472856 PCGLIADGNRZPMO-AUUYWEPGSA-N 471.373 1.878 50 10 JDGE CO[C@@H]1CN(C(=O)c2cnn(C)c2I)[C@H](CBr)[C@H]1OC 2233351864 CCDWZWIXWFMCHT-OPRDCNLKSA-N 458.094 1.274 50 10 JDGE CSCC[C@@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O 2325044643 QBXLFAKBYIZIIJ-GOSISDBHSA-N 466.585 1.031 50 10 JDGE Cc1cc(Cl)ccc1N(CC(=O)NN=Cc1ccc(OCC(N)=O)cc1)S(C)(=O)=O 1084544679 YKZUCJKIOMFHIG-UHFFFAOYSA-N 452.920 1.429 50 10 JDGE C#C[C@@H](NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C1CCOCC1 1479007656 MGFGGPFOSOKSCN-OAQYLSRUSA-N 459.506 1.817 50 10 JDGE COc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1865851685 GFIWYQQFHFSYCQ-CYBMUJFWSA-N 456.524 1.818 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@]1(CBr)CCCO1 2018296758 WXHJWFLOVSSLKW-SFHVURJKSA-N 459.362 1.926 50 10 JDGE O=C(NC[C@@]1(C2CC2)CCN(S(=O)(=O)N2CCC(Br)CC2)C1)C(F)(F)F 2163052462 DORIQXXPCQJBRU-AWEZNQCLSA-N 462.332 1.871 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(S(=O)(=O)N3CCC(Br)CC3)[C@@H]2C1 2185532744 JHXHHSRIYVBODT-HUUCEWRRSA-N 468.414 1.801 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](Nc2ncc(Br)cc2B(O)O)(C(F)(F)F)C1 2240343755 XAUQFESESZFDJL-CQSZACIVSA-N 454.052 1.878 50 10 JDGE COc1ccc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2264092744 GIEYJNYJZSLGOL-MRXNPFEDSA-N 474.322 1.918 50 10 JDGE Cc1cc(CN(C)C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2268647310 YLEZZCWJJXJGJI-IBGZPJMESA-N 475.420 1.720 50 10 JDGE CN1CCC(CBr)(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2307445344 AJDLRVNUGWZIBX-UHFFFAOYSA-N 458.378 1.451 50 10 JDGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 9930959 GBDUCNJDRDYQBS-HNNXBMFYSA-N 499.998 1.356 50 10 JDGE C=CC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccncc1 1222022142 XRYUIIIOHRCYEH-IBGZPJMESA-N 459.528 1.364 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCCCN3CCCC3)C2)C1 1872960562 DWIKLWJDHVEUSD-UXHICEINSA-N 456.591 1.488 50 10 JDGE CC(C)(C)OC(=O)Nc1ncc(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)s1 2282368760 VMZAFYQQHAQSTC-UHFFFAOYSA-N 453.760 1.363 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(=O)OC)cc2)cc1 10455943 RHRQPTUQIIWOKH-UHFFFAOYSA-N 459.480 1.364 50 10 JDGE C[C@@H](Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)C(=O)NNC(=O)C1CCC1 253577202 WTXFTRZCXOAQSJ-SEYNJHBTSA-N 477.463 1.495 50 10 JDGE O=C(CSc1nnnn1-c1ccccc1)NN=Cc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 254492303 RPIOOQPVKDWDNP-UHFFFAOYSA-N 468.499 1.650 50 10 JDGE Cc1nnn(-c2nonc2N)c1C(=O)NN=Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 254531495 QGOJRZOIWSNDPS-UHFFFAOYSA-N 477.397 1.432 50 10 JDGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CCOC)c2C)CC1 727742788 HTNNOUGWUUZHHU-LTGZKZEYSA-N 485.610 1.915 50 10 JDGE CN(Cc1csc(B(O)O)c1)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256599926 ZENKXONWEFDWQY-SFHVURJKSA-N 462.377 1.887 50 10 JDGE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1nscc1B(O)O 2268633111 QGQGRLAYQIILFJ-NYHFZMIOSA-N 474.392 1.170 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283950761 OPDCYJOQCXYHOE-DEOSSOPVSA-N 469.347 1.483 50 10 JDGE C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)CS2 912643203 IFIUOONRMICKLT-OXQOHEQNSA-N 466.585 1.076 50 10 JDGE CS(=O)(=O)N1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 914847595 ACZMVBLTZAZEBG-XDJHFCHBSA-N 452.540 1.865 50 10 JDGE O=C(O)[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2303459418 QZYQBVXCGJFSGW-AWEZNQCLSA-N 461.334 1.611 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 1910919022 YCLCHQDGMMNWMX-IHRRRGAJSA-N 481.637 1.350 50 10 JDGE Cc1nc(I)c(I)n1CC(F)(F)C(=O)NN 1936388593 NXFNCPNUNSVGHW-UHFFFAOYSA-N 455.972 1.026 50 10 JDGE O=C(NCCS(=O)(=O)CCBr)c1ccc(I)c(O)c1 2335773057 MCZXGGDHZCWHSD-UHFFFAOYSA-N 462.103 1.536 50 10 JDGE C[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)NNC(=O)OC(C)(C)C 213097098 SNLDOLGYCJWVFX-CABCVRRESA-N 493.561 1.257 50 10 JDGE C/C(=N\NC(=O)Cn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)c1ccccc1O 606630538 URQRAHNBRPHMMQ-LQKURTRISA-N 489.536 1.334 50 10 JDGE CC1(C)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 703975204 VKCVOZPHDIVBCP-CYBMUJFWSA-N 459.362 1.877 50 10 JDGE C#C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H]1CCCO1 1234625163 CORHHIKSCMIZHK-WOJBJXKFSA-N 456.524 1.290 50 10 JDGE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)C1 1564879060 SZDMYNVXXXLGKV-KFKAGJAMSA-N 454.531 1.568 50 10 JDGE CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 1628561829 QMKLCVVRZWKNJJ-JOCHJYFZSA-N 458.540 1.185 50 10 JDGE O=S(=O)(NCCOCCCI)N1CC(OCc2ccccc2)C1 1977419392 BUJNUJXTTBTLRJ-UHFFFAOYSA-N 454.330 1.564 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)CI)OC2(CCC2)C1 1983331437 WTCYYQQAENQISW-NSHDSACASA-N 460.334 1.857 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](NS(=O)(=O)CI)CO2)C1 2210517884 ZDBCOEPFLJMIIT-RISCZKNCSA-N 460.334 1.857 50 10 JDGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCOC)CC1 2296731315 NALRTDUCMGHGDL-UHFFFAOYSA-N 467.526 1.452 50 10 JDGE O=C(CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 8952001 ONLKOWIROVISAO-IBGZPJMESA-N 484.465 1.534 50 10 JDGE COc1ccc(OC)c(S(=O)(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1 1860770476 JYUSAHAHZWATGK-UHFFFAOYSA-N 452.514 1.102 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@@H]1O 2116224629 LOSTUPJWKRZKMI-YUTCNCBUSA-N 456.403 1.344 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B(O)O 2268635824 WDJJPGDIZVHLKQ-UWJYYQICSA-N 456.348 1.524 50 10 JDGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623425 NRRRZCISUZNHPD-IENJSVCTSA-N 452.536 1.779 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3cc(OC)c(O)c(OC)c3)nnn2-c2nonc2N)c1 254722327 RAJRARIEGFSOPH-UHFFFAOYSA-N 494.468 1.785 50 10 JDGE CNS(=O)(=O)c1cccc(C(=O)NNc2nc3ccccc3c(=O)n2CCCOC(C)C)c1 751886291 DQCSSCJBXSNAKO-UHFFFAOYSA-N 473.555 1.877 50 10 JDGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865757838 XCYTYNZFTRSGCV-INIZCTEOSA-N 464.507 1.990 50 10 JDGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(B(O)O)c(F)c1 2255884303 WBLMSYGLWYZTKC-UHFFFAOYSA-N 456.348 1.876 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)s1 2256618971 UNGGLYUWEJOWLY-SFHVURJKSA-N 461.393 1.378 50 10 JDGE CN(Cc1csc(B(O)O)c1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268634381 XRXFQINDXDYYCN-QHCPKHFHSA-N 473.404 1.556 50 10 JDGE Cc1sc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(C)c1B(O)O 2282464692 CFKLYKBIPAOQFC-UHFFFAOYSA-N 499.439 1.973 50 10 JDGE CC(=NNC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(OCC(N)=O)c1 2297635208 HVWXYWAPUSTYMP-UHFFFAOYSA-N 473.536 1.962 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(OCC(=O)O)cc3)nnn2-c2nonc2N)c1 254867933 NZJVFZPMSSSBLN-UHFFFAOYSA-N 492.452 1.526 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)NCC(F)(F)F)cc1 1634169070 VRONMSMGQSEZCU-AWEZNQCLSA-N 450.439 1.325 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3c(C)cccc3F)ccc2F)CC1 1634344734 ZLRWBTRNWYARNN-UHFFFAOYSA-N 452.483 1.883 50 10 JDGE CN(C)c1cccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961579 MCEGJGUJMDINDO-ROUUACIJSA-N 450.543 1.882 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H]1CCBr 2046021444 BOTMITQBAYWVLM-FZKQIMNGSA-N 477.352 1.826 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2c(Cl)cccc2B(O)O)CCN1C(=O)OC(C)(C)C 2266881905 RICIVTKQCXVREL-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B(O)O)cc2C1 2268649651 DXSCQFNEYGDCGK-NRFANRHFSA-N 453.348 1.234 50 10 JDGE C[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1ccc(B(O)O)cc1 2284055441 TVQIUQKMBOPYFF-IQGLISFBSA-N 467.375 1.713 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccccc2OC)cc1 2313743455 PBZHHAAAPBXZKB-UHFFFAOYSA-N 457.508 1.986 50 10 JDGE Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13629320 HARYRRNKYJELQJ-ZDUSSCGKSA-N 450.289 1.925 50 10 JDGE COCCNC(=O)/C(C#N)=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O 33726675 MAOIDLFJTWYFCC-ZPHPHTNESA-N 458.522 1.691 50 10 JDGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])CC1 40658167 LNGVRIQFZCFZDH-UHFFFAOYSA-N 460.407 1.328 50 10 JDGE C/C(=N\NC(=O)Cn1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)c1ccc(O)cc1 606630584 WYFDDOWUTYBSSM-JFLMPSFJSA-N 475.509 1.292 50 10 JDGE CC1(C)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 703975207 VKCVOZPHDIVBCP-ZDUSSCGKSA-N 459.362 1.877 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)c1 1455406076 LLQXODWMNOLSIT-OAQYLSRUSA-N 458.565 1.441 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@@H]21 2040599572 YKUJKZOCLMJNCO-PMPSAXMXSA-N 471.373 1.733 50 10 JDGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](CB(O)O)C(=O)O)cc1I 2124537013 VETSLXKHLGXSDA-LLVKDONJSA-N 478.048 1.294 50 10 JDGE CN([C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1c(Cl)cccc1B(O)O 2282732961 NYLAFUXHJXVHMB-IRXDYDNUSA-N 452.725 1.098 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2cc(B(O)O)ccn2)CCN(Cc2ccccc2)CC1 2283952639 KRWLJRLKFASHRR-UHFFFAOYSA-N 468.363 1.650 50 10 JDGE C#CCNC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 728534217 GCTLLWGUXKHAET-HMMYKYKNSA-N 489.967 1.918 50 10 JDGE COc1ccc(OC)c(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 1860770622 QAEIPUORJLXCOY-UHFFFAOYSA-N 478.552 1.364 50 10 JDGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)CI)OCc1ccccc1 1881750125 PWUJHWLMVVHYAT-OLZOCXBDSA-N 454.286 1.382 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCI 1956234485 RNYRMJLVYFVJPT-OAHLLOKOSA-N 468.288 1.755 50 10 JDGE CO[C@]1(CBr)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024191 YNMLFTKHMHYJCU-ROUUACIJSA-N 477.352 1.826 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2121587917 NLYHMPMUDBCXOB-RXMXQMHTSA-N 489.363 1.682 50 10 JDGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179813800 YUDDFQLKXXXVPV-ROUUACIJSA-N 455.378 1.552 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B(O)O)c1 2268646017 IABFZTWUPKPNSU-UWJYYQICSA-N 456.348 1.823 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)NCCc1ccccc1B(O)O)Cc1ccccc1 2268677857 WOBZLIDZTIQNOX-UHFFFAOYSA-N 455.364 1.052 50 10 JDGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1 17518600 OYEKTCUDCFGHLF-IBGZPJMESA-N 495.623 1.527 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(N)=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530456 GFJQQPYCTIQFPJ-TVUKYBJQSA-N 461.559 1.353 50 10 JDGE biogenic CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)c2scnc2C)cc1 729453640 OETUHIQWPBUGJB-INIZCTEOSA-N 450.542 1.659 50 10 JDGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC(Br)CC2)C1 2162495054 QHFCRNLEMOFAGY-AWEZNQCLSA-N 468.414 1.980 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)Cc1ccsc1B(O)O 2247882544 QIAAKKMHPLOHHL-UHFFFAOYSA-N 468.406 1.675 50 10 JDGE N#CC(=Cc1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2296848674 SLWJPCYTFZQTFW-UHFFFAOYSA-N 456.506 1.620 50 10 JDGE COCCCNC(=O)C(C#N)=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O 2314435480 RGUCEAQPWZZAIF-UHFFFAOYSA-N 453.499 1.097 50 10 JDGE O=C(NN=Cc1cc([N+](=O)[O-])c(O)cc1O)[C@H](Sc1nnc(O)nc1O)c1ccccc1 2323173015 UTRQFXOCMWZGPS-CQSZACIVSA-N 458.412 1.586 50 10 JDGE C[C@@H](Cl)C(=O)NC1CCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169898178 VYOSMHWZHOXHAA-GFCCVEGCSA-N 450.879 1.706 50 10 JDGE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 1989687613 UKDGZEXMGYOVQO-SECBINFHSA-N 459.347 1.710 50 10 JDGE CC(C)(C)OC(=O)NC1(CO)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106771054 FHMVENOOFUFCGO-UHFFFAOYSA-N 456.403 1.442 50 10 JDGE Cc1c(B(O)O)csc1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2255559959 ZOFVSQFVALTIAE-UHFFFAOYSA-N 450.369 1.938 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B(O)O)ccc1Cl 2256628945 OPFYRAMTBNIEED-LJQANCHMSA-N 461.755 1.984 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCC[C@@]2(CBr)C1 2278888664 WIYFHHWFILRBLZ-ZYSHUDEJSA-N 489.363 1.826 50 10 JDGE Cc1cccc(-n2c(SCC(=O)NNC(=O)c3ccccc3)nnc2N2CCOCC2)c1 17876393 DZQODMLPUWRUDI-UHFFFAOYSA-N 452.540 1.966 50 10 JDGE O=C(NNc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-])c1ccc(F)cc1 40657945 PCJDLZMRYGDLIR-UHFFFAOYSA-N 456.350 1.946 50 10 JDGE C/C(N)=C(/C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 101090095 PWQXPMKUABXRMY-WYMLVPIESA-N 459.446 1.975 50 10 JDGE NNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 145563958 LOIYZIMLLRKKNS-WWMYMODYSA-N 484.667 1.055 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)C2(CCOCC2)C1 1983326870 GBUWUPUZLVMFKE-NSHDSACASA-N 460.334 1.857 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2c(cccc2B(O)O)C1 2284040463 LHGIUURTCWGJFN-HXUWFJFHSA-N 468.359 1.751 50 10 JDGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630288 SLSTVUWVHLLCNK-LLVKDONJSA-N 495.355 1.735 50 10 JDGE O=C(CN1CCOCC1)N/N=C/c1cc(Br)c(O)c(I)c1 59246386 HLOGMLOVXYNGDH-FRKPEAEDSA-N 468.089 1.542 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2C(=O)O)c1CSc1ccccc1 254305188 FHCRGTKUHCNBAV-UHFFFAOYSA-N 464.467 1.987 50 10 JDGE CN(C)CCCN1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866609863 FVFPHPCTRWQQOV-HXUWFJFHSA-N 495.561 1.537 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)C1 1872962887 YAXIWQUMCOBTTO-HZPDHXFCSA-N 452.471 1.725 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1COC2(CCN(S(=O)(=O)CI)CC2)C1 1983328013 SKOJVVDNRMLJKA-NSHDSACASA-N 460.334 1.857 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2cc(B(O)O)c(Cl)cn2)CC1 2277612505 VMXYUAPYUYSLDI-UHFFFAOYSA-N 484.790 1.709 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@@H](CCl)O[C@@H]2C1 2279913478 NGCOWZZICODUCZ-XOKHGSTOSA-N 456.948 1.346 50 10 JDGE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)ccc1B(O)O 2281718270 YZMHBUIGTKYXLC-OAQYLSRUSA-N 467.375 1.526 50 10 JDGE O=C(NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-])c1ccccc1Br 40658385 PRYVHAPVZXNPOR-UHFFFAOYSA-N 466.296 1.648 50 10 JDGE COC(=O)c1ccc(Cl)cc1N/C=C1/C(=O)N(CCN2CCOCC2)C(=O)C(C#N)=C1C 102730435 QTRRVNUEBLJOPK-QGOAFFKASA-N 458.902 1.963 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(O)c(OC)c3)nnn2-c2nonc2N)cc1 254451168 JEKCAJPWCCVSGV-UHFFFAOYSA-N 464.442 1.776 50 10 JDGE CC(=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccncc1 1084093635 MFDJVIDKLUCOSP-UHFFFAOYSA-N 457.432 1.503 50 10 JDGE C=CCC(C)(C)C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1638083815 QTCILWVMBWNJOY-INIZCTEOSA-N 453.561 1.702 50 10 JDGE CC1(C)CN(Cc2ccccc2)CCN1CCNS(=O)(=O)CI 1900690638 IWMRNCZAEPGOIQ-UHFFFAOYSA-N 451.374 1.895 50 10 JDGE Cn1nc(CNS(=O)(=O)CI)c(I)c1Cl 1910105655 DNPVNJJZNCRIFI-UHFFFAOYSA-N 475.477 1.490 50 10 JDGE Cc1nc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ncc1B(O)O 2256640857 KRRZAASHPPAVMC-JOCHJYFZSA-N 474.326 1.967 50 10 JDGE O=S1(=O)C[C@H]2CN(S(=O)(=O)c3cc(CBr)sc3Br)C[C@H]21 2361465202 WOUACOJTNFHOLO-HZGVNTEJSA-N 465.210 1.823 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)cc1 254853066 DXPNYKCRBTWBMK-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE Cc1ccc(N2NOC(=O)/C2=C(/O)C2=[S+]C3=NC(=N)C(C#N)=C(c4ccco4)C3=C2N)cc1 1086016583 BFUZBJVNKGJSRL-UHFFFAOYSA-O 459.467 1.989 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1C[C@@H](CBr)CO1 1995957913 PMQHHKMONXLVSC-UONOGXRCSA-N 459.362 1.782 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCOCCCBr 2000532168 HUZHSBPOQCGEKB-QGZVFWFLSA-N 465.341 1.732 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCCN(CCBr)C1 2029232771 LVQGESPAGZTBLT-HNNXBMFYSA-N 472.405 1.842 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1C[C@H](Br)CCO1 2046028628 JVZXSROHGOFNJM-VFVRVIDISA-N 477.352 1.873 50 10 JDGE O=C(NCCNS(=O)(=O)c1ccc(F)cc1B(O)O)OCC1c2ccccc2-c2ccccc21 2247882305 MZUAYIFPLSEFNX-UHFFFAOYSA-N 484.314 1.323 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncccc2B(O)O)CCN(Cc2ccccc2)CC1 2282214179 VAPIOCTWGPADNK-UHFFFAOYSA-N 468.363 1.051 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2313861757 FEHUEJISQUOLMH-UHFFFAOYSA-N 472.479 1.886 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2scc(B(O)O)c2C1 2314907236 IFLFFGXVHSUVCB-GOSISDBHSA-N 460.361 1.423 50 10 JDGE CCCCOc1c(OC)cc(C=NNC(=O)CSc2nnc(O)nc2O)cc1[N+](=O)[O-] 2323176480 CMSLMBOWRNAEPX-UHFFFAOYSA-N 452.449 1.621 50 10 JDGE CCC(=O)NNC(=O)CSc1nnc(NN=C(Cc2ccccc2)Cc2ccccc2)n1N 20919278 QNXOPPIOBQVFSL-UHFFFAOYSA-N 466.571 1.895 50 10 JDGE COc1ccc2c(=O)c(C(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c[nH]c2c1 728214571 AMFMRISJZBWDEP-UHFFFAOYSA-N 471.539 1.230 50 10 JDGE CO[C@]1(CBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942099129 RNDJLOMYBZKLKV-SFHVURJKSA-N 459.362 1.878 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2216719699 DIEAEGCEJSVMJI-MAUKXSAKSA-N 457.346 1.488 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCc2cccc(B(O)O)c2)C1 2284015567 PBWZEPMHBIJKKG-VWLOTQADSA-N 468.359 1.827 50 10 JDGE CCn1cc(C(=O)NNC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c(=O)c2ccc(C)nc21 1088690922 JXUXAIFTGJGAHI-UHFFFAOYSA-N 460.494 1.838 50 10 JDGE C=CC[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1636883264 NZFGPAOCQVYQPD-LPHOPBHVSA-N 450.561 1.786 50 10 JDGE O=C(NNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1)c1cccnc1 1858002208 QKDIMNOHKPZNKW-UHFFFAOYSA-N 485.566 1.180 50 10 JDGE N#CSc1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)cc2)cc1 1868134910 DPDFZBMKAFMBEF-SFHVURJKSA-N 493.588 1.589 50 10 JDGE COc1cc2c(/C=N/NC(=O)Cn3c(O)nc4ccccc4c3=O)c(C(=O)O)n(C)c2cc1OC 1873793929 NEJQJLYTMYGIIX-YSURURNPSA-N 479.449 1.460 50 10 JDGE O=C(Nc1cc(I)cc(I)c1)c1cccc(B(O)O)c1 1963580644 SJYFBJSECMHBLQ-UHFFFAOYSA-N 492.847 1.828 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2013004610 GGNCXZVNRXSNPO-VBNZEHGJSA-N 457.346 1.629 50 10 JDGE COc1cccc(B(O)O)c1C(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2267362203 OHWSKBHMYRBGRB-UHFFFAOYSA-N 456.304 1.568 50 10 JDGE O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 12572627 MKBNNUIJLUZWJQ-UHFFFAOYSA-N 457.468 1.658 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cccc4cnccc34)cc2)CC1 1183228004 ZZKCHNSXARKFJE-UHFFFAOYSA-N 453.524 1.845 50 10 JDGE C=CC(=O)N1CCC(C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)(c2ccccc2)CC1 1456020682 SVMHWIPPCQBHBE-GOSISDBHSA-N 456.543 1.890 50 10 JDGE C=CC(=O)N(C)CC(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1463587062 RBHSOJCBGSGMGH-UHFFFAOYSA-N 458.540 1.221 50 10 JDGE COCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)cc2C1=O 1873777974 YBGRYHRQEYWUCS-QGZVFWFLSA-N 465.510 1.710 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(S(=O)(=O)CI)CC2)C1 1983326731 DITXGRVNLNKKDL-GFCCVEGCSA-N 459.350 1.336 50 10 JDGE O=C(CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2195884088 VYPXNKHJRRIQEE-KURKYZTESA-N 457.980 1.145 50 10 JDGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 2313892778 UILKVBNHYSGVOW-INIZCTEOSA-N 456.524 1.762 50 10 JDGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 13630301 NDYSSQYNBSIQPX-INIZCTEOSA-N 474.539 1.379 50 10 JDGE CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OCC(=O)OC 59247063 JZBJDOVURFJFKI-KEBDBYFISA-N 458.309 1.182 50 10 JDGE COc1ccc(OC)c(C=NNC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 254698798 CHEKZHNWFWPYTP-UHFFFAOYSA-N 474.539 1.368 50 10 JDGE COc1ccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(OC)c1OC 254740492 SXPHBRRGFXLNQJ-UHFFFAOYSA-N 470.482 1.274 50 10 JDGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 747845766 IHJKALYGWKHBGS-UHFFFAOYSA-N 481.552 1.271 50 10 JDGE CC(=NNC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc2c(c1)OCO2 1084599345 AVCRBQZERRWXII-UHFFFAOYSA-N 455.456 1.928 50 10 JDGE C=CC[C@]1(C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)CCCN1C(=O)OC(C)(C)C 1450222178 ABFVJCJOUMFOQA-QMHKHESXSA-N 456.499 1.931 50 10 JDGE CCOC(=O)[C@@H]1C2=C[C@H](OC(C)=O)[C@H](Br)C=C2N(C)[C@@H]1CN1CCC(=O)CC1 1565503659 AELBDGZUGNLTPQ-OQIJWPOYSA-N 455.349 1.664 50 10 JDGE Cc1ccc(S(=O)(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)c(B(O)O)c1 2255883209 CGBYWBYWMWKZRT-UHFFFAOYSA-N 464.349 1.322 50 10 JDGE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)sc1B(O)O 2267335753 QQDJIYWMFQZICS-SFHVURJKSA-N 473.404 1.588 50 10 JDGE COc1cc(C=NNC(=O)CNc2nnc(O)nc2O)cc(OC)c1OCc1ccccc1 2323200304 JXSFCGDYINIQOS-UHFFFAOYSA-N 454.443 1.441 50 10 JDGE CN(CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)S(=O)(=O)/C=C\c1ccccc1 96841966 INRWVJVHNYRXAU-QXMHVHEDSA-N 457.487 1.705 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)NCCc3ccc(O)cc3)CC2)cc1 217181523 DKCJSUYRKPGELX-JZJYNLBNSA-N 454.552 1.773 50 10 JDGE C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1Oc1ccc(F)cc1Br 729276281 AYUCRCDNEXLJRY-SECBINFHSA-N 475.296 1.474 50 10 JDGE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)sc1B(O)O 2256621167 RDQXLTSQQXHKAS-QAPCUYQASA-N 462.377 1.851 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2sc(B(O)O)cc2C1 2256679844 ZWWSBEFRPNPQAD-QGZVFWFLSA-N 460.361 1.423 50 10 JDGE Cc1cc(B(O)O)ccc1C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2282133152 ZJQPFXOFMUILQZ-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2cc(B(O)O)ccc2C1 2284059587 USVJWGSFJRNODC-JOCHJYFZSA-N 468.359 1.751 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3cccc(B(O)O)c32)CCN(Cc2ccccc2)C1 2284059762 VRMIWHJNZCSVMC-RUZDIDTESA-N 465.359 1.425 50 10 JDGE COc1cc2[nH]c(C(=O)O)c(C=NNC(=O)Cn3c(O)nc4ccccc4c3=O)c2cc1OC 2328792484 ILTXRANKYHZUCF-UHFFFAOYSA-N 465.422 1.449 50 10 JDGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(S(N)(=O)=O)cc1 916261986 OSVNCCYWMONZRE-UHFFFAOYSA-N 450.542 1.273 50 10 JDGE CC(=O)N1CCC(N(CC(=O)NNC(=O)Cc2nc(C)cs2)Cc2cncs2)CC1 1559860561 GNGAOUTXLXSMSW-UHFFFAOYSA-N 450.590 1.111 50 10 JDGE O=C(CNC(=O)c1ccccc1Cl)NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1857965406 JSNBUTHRDOOOHR-UHFFFAOYSA-N 450.904 1.206 50 10 JDGE NNC(=O)[C@H]1CC[C@H](Cn2cnc(I)c2I)C1 2010833119 OUIGTUQRIJRQPY-BQBZGAKWSA-N 460.057 1.499 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)CCCO1 2073633989 UYKDZUVVBDONOG-ROUUACIJSA-N 477.352 1.874 50 10 JDGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](COc2ncc(Br)cc2B(O)O)C1 2240281287 RLGRMUODNOBXQT-SNVBAGLBSA-N 451.073 1.795 50 10 JDGE Cc1cc(S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)sc1B(O)O 2247946317 HSVQMIRLLCESCA-UHFFFAOYSA-N 468.406 1.842 50 10 JDGE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267624833 FSZYFGWWVUFHJZ-ZDUSSCGKSA-N 458.754 1.113 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COC[C@H]1Br 2301117028 LJOPIYMSQXLYIO-HZPDHXFCSA-N 459.362 1.925 50 10 JDGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2324879947 OYIKKTKUZOQUQW-UHFFFAOYSA-N 469.523 1.226 50 10 JDGE COc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2N)cc1 20923901 SZAXWMRZDXLUCL-UHFFFAOYSA-N 461.935 1.819 50 10 JDGE O=C(COc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc1)NC[C@@H]1CCCO1 254556494 GEPOUGVGMMDSAK-DEOSSOPVSA-N 480.565 1.957 50 10 JDGE Cc1nc(O)n(C)c(=O)c1CCc1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)o1 585191127 IJZBBGGJWLMBAM-UHFFFAOYSA-N 465.495 1.897 50 10 JDGE CC(=NNC(=O)c1cc(Br)cn1C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816909 VOKXACIRFYVAIU-UHFFFAOYSA-N 491.389 1.667 50 10 JDGE COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Br)cc2)cc1OC 1317709861 YRHUGLJUMQSLIL-UHFFFAOYSA-N 472.317 1.206 50 10 JDGE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1C 1457496882 QYSWFJMRFVKIOB-UHFFFAOYSA-N 454.955 1.764 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cc(F)c(F)cc3F)c2)CC1 1566431319 GXMDCNFFDQJHCX-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE O=C1CN(C(=O)c2cc(I)ccc2O)CCN1CCBr 2171080005 WXOOOVRMYKVGMC-UHFFFAOYSA-N 453.074 1.676 50 10 JDGE CN(Cc1ccc(B(O)O)s1)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268796600 DBICFOSNOVGNGX-UHFFFAOYSA-N 474.388 1.840 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2c(Cl)cccc2B(O)O)C1 2287639977 PQRIOPLVBIVVQM-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE COc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)ccc1B(O)O 2289569625 DAVRDBPUVYJCHB-IIBYNOLFSA-N 472.347 1.490 50 10 JDGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)CCC2 40812973 PPYOJKCPIRBVAI-HAVVHWLPSA-N 454.487 1.859 50 10 JDGE COc1cc(/C=N/NC(=O)CCNc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1F 169892854 YYVJWNWMHJILJH-BHGWPJFGSA-N 456.434 1.137 50 10 JDGE NNC(=O)c1sccc1Cn1cnc(I)c1I 302504015 XNNHHLFZTFSNAW-UHFFFAOYSA-N 474.065 1.806 50 10 JDGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2ccccn2)c(OC)c1 1084103728 JFSIKMSTALGYKI-OAQYLSRUSA-N 467.482 1.810 50 10 JDGE COc1ccc(C=NNC(=O)c2nonc2C(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC 1084550727 STANJKSAULDBCT-UHFFFAOYSA-N 482.453 1.632 50 10 JDGE C=CCS(=O)(=O)CCNC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 1469509227 ZQOJAGPIDYYKIK-NRFANRHFSA-N 456.568 1.545 50 10 JDGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179826614 UXLOJUMCCDDRDH-QRVBRYPASA-N 458.422 1.923 50 10 JDGE Cc1nsc(B(O)O)c1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2255784943 IWYHFTQPWUBQGS-UHFFFAOYSA-N 451.357 1.333 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B(O)O)cccc21 2268634991 MIWUBCXOTLSIMO-IIBYNOLFSA-N 454.332 1.754 50 10 JDGE COc1ccc(B(O)O)cc1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2281697068 LWDPPFNJUAAMAG-UHFFFAOYSA-N 460.339 1.576 50 10 JDGE C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 28621938 JFIJXJUNQCUXEL-CQSZACIVSA-N 464.457 1.795 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1COCC[C@@H]1Br 1942090082 UDRKMUXQVZTGDD-HOTGVXAUSA-N 459.362 1.925 50 10 JDGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNc1ncc(Br)cc1B(O)O 2240338617 DOXIZNAHCCSTET-OAHLLOKOSA-N 450.089 1.971 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2sc(B(O)O)cc2C1 2256671979 ZWWSBEFRPNPQAD-QGZVFWFLSA-N 460.361 1.423 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCCc2c(B(O)O)cccc21 2268719104 YOBVSYRTELYZKD-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1Cc2ccc(B(O)O)cc2C1 2268719850 LDNJYKGRMZVHHH-OAQYLSRUSA-N 454.332 1.709 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1c(Cl)cccc1B(O)O 2282444725 YHGXPFISQLUFKT-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2Cl)c1CN1CCCC1 3663885 MBZUIMOUMJHRMD-UHFFFAOYSA-N 450.290 1.899 50 10 JDGE CN(C)C[C@@H]1C[C@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2058548130 KDFQFBLVXLGNJW-GJZGRUSLSA-N 472.405 1.792 50 10 JDGE COC(=O)[C@@H](Br)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106588272 VRFBEWCRXFVZHW-QDXKXIGTSA-N 457.391 1.335 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)cc2B(O)O)CCN1C(=O)OC(C)(C)C 2267363640 LQIHSGSOUVDKKE-UHFFFAOYSA-N 467.303 1.351 50 10 JDGE Cc1cc(B(O)O)cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2281723074 LVHOWDVOFJHVCJ-JOCHJYFZSA-N 467.375 1.526 50 10 JDGE C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1nscc1B(O)O 2283953199 QCDLBFHAZNFRQK-MRXNPFEDSA-N 488.419 1.560 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCOCCI)[C@@H]2CS(=O)(=O)C[C@@H]21 2306795620 ALGSYTZOIMOKCZ-OLZOCXBDSA-N 474.361 1.156 50 10 JDGE COc1cccc(C=NNC(=O)Cn2c(=Nc3cccc(C)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1 2328610744 RVFBTAOGIKDBOD-UHFFFAOYSA-N 475.509 1.067 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3cccc(OC)c3O)nnn2-c2nonc2N)c1 254438550 ZGISTAPXUGXCSJ-UHFFFAOYSA-N 450.415 1.386 50 10 JDGE Nn1c(SCC(=O)NN=Cc2ccccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084280866 ZTONPPYJYYWYPX-UHFFFAOYSA-N 458.416 1.423 50 10 JDGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 1084548820 YKINTBRQXXPMQX-UWJYYQICSA-N 452.511 1.688 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CO 2122366763 BJCYAFSNJCDZDZ-GXTWGEPZSA-N 456.403 1.298 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](Oc2ncc(Br)cc2B(O)O)C(F)(F)CC1 2240316446 RCXZQYBHPGPUKW-GFCCVEGCSA-N 451.073 1.938 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cc(B(O)O)ccc2F)CCN(Cc2ccccc2)C1 2283950947 QULCQLSEVGSLMB-DEOSSOPVSA-N 471.338 1.291 50 10 JDGE Cc1sc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1C 2287638981 HZHFJGORDBJEJA-UHFFFAOYSA-N 497.423 1.631 50 10 JDGE C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 18054844 VKYJTDQYZVQLEN-CQSZACIVSA-N 464.457 1.795 50 10 JDGE COc1ccccc1C(NC(=O)CI)NC(=O)CI 100917546 XDHDMTDRTJJHJJ-UHFFFAOYSA-N 488.063 1.796 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)ccc1O 254770325 LCKHEZHFIPWJDN-UHFFFAOYSA-N 465.386 1.286 50 10 JDGE CN(C)c1c([N+](=O)[O-])cc(C(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1[N+](=O)[O-] 1084270262 LOHJHHCDDDZUTR-UHFFFAOYSA-N 463.319 1.855 50 10 JDGE NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc(Br)cc1 1333074121 RNAVFGXJTPAQNM-CQSZACIVSA-N 467.707 1.538 50 10 JDGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)c2ccc3c(c2)OCCO3)CC1 1670284226 LUSPMPSEETUKCU-UHFFFAOYSA-N 453.499 1.588 50 10 JDGE Cn1ncc(Br)c1S(=O)(=O)N1C[C@@H](Br)[C@H](Br)C1 1910006977 MACIRYHMKFEGHW-RNFRBKRXSA-N 451.966 1.714 50 10 JDGE C[C@@]1(CBr)COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2003256969 PFBSVOFVARAWKN-GOSISDBHSA-N 459.362 1.878 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(S(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2106782079 NSNDFXRXRUTVST-KBPBESRZSA-N 454.387 1.411 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2233980781 ZTNZJIZPJNZFGV-QLFBSQMISA-N 465.366 1.201 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2368873490 OCUWSXBITRQMHF-RRFJBIMHSA-N 468.414 1.847 50 10 JDGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 9826235 YKXPRDDZYKELHH-UHFFFAOYSA-N 462.484 1.725 50 10 JDGE O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12572682 YANWQDZXUPCATC-UHFFFAOYSA-N 453.820 1.871 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Br)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 22053092 GRDUQQNEXMJRRS-QXDIGNSFSA-N 498.282 1.198 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc(OC)c1O 254815563 WWYSGRNAAIMVBP-UHFFFAOYSA-N 493.484 1.356 50 10 JDGE CN1CCN(CN2C(=O)C(=NNC(=O)c3ccncc3)c3cc(Br)ccc32)CC1 254866732 QQFJUVHDUTUHGR-UHFFFAOYSA-N 457.332 1.530 50 10 JDGE C=C[C@H](CC)CC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1182182681 HANZYRJCBDZUAM-PBHICJAKSA-N 453.561 1.702 50 10 JDGE CCN=c1nc(NCC)n2c(SCC(=O)NNC(=O)c3ccc(Br)cc3)n[nH]c2n1 1317911541 LCTUDZXXOSVMAK-UHFFFAOYSA-N 494.379 1.121 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)c1 1637299382 WNFNZBKYXFABKO-UHFFFAOYSA-N 457.562 1.911 50 10 JDGE CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc21 1858082262 SISDCTMBDHKBHW-UHFFFAOYSA-N 467.548 1.051 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2116265895 AIJJQYSSIOICBQ-TZMCWYRMSA-N 456.403 1.298 50 10 JDGE CCc1nc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)s1 2255779434 GECUPPXDGFMMNT-UHFFFAOYSA-N 495.366 1.976 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B(O)O)cc1F 2269697999 OYLQJJZNCDIIPN-YWZLYKJASA-N 460.311 1.620 50 10 JDGE O=C(CCC(=O)OCCc1ccccc1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623469 JUIJGHASTOJSRD-FQEVSTJZSA-N 496.589 1.623 50 10 JDGE CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCC(=O)NNC(=O)/C=C/c2ccccc2)O1 36367421 RHUOIDQSBWTIEJ-VKWROLEUSA-N 462.499 1.260 50 10 JDGE Nc1c(NNC(=O)Cc2ccccc2)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 40795133 BOEDMIUKEHXYKK-UHFFFAOYSA-N 461.526 1.796 50 10 JDGE O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NN=Cc1c[nH]c2ccccc12 254740360 RCVGOGLSUXDSMT-UHFFFAOYSA-N 453.524 1.833 50 10 JDGE COc1ccc(C=NNC(=O)C[C@@H]2C(=O)NN=C3c4ccccc4N=CN32)c(C(=O)O)c1OC 606348324 BGOROOMIPFVKTE-OAHLLOKOSA-N 464.438 1.078 50 10 JDGE CCOCCCn1c(NNC(=O)c2cccc(S(=O)(=O)NC)c2)nc2ccccc2c1=O 752037554 IZBWOCONTAONMA-UHFFFAOYSA-N 459.528 1.488 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)NNC(=O)C(F)(F)F 1084408148 KGUCNILQAOGZPM-UHFFFAOYSA-N 482.242 1.521 50 10 JDGE C#CC[C@@]1(C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)CCCN1C(=O)OC(C)(C)C 1556767016 ZVZHNFDRVUWFCW-HJPURHCSSA-N 454.483 1.378 50 10 JDGE CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1618586175 UNEWPVDDXFFZQM-HXUWFJFHSA-N 458.540 1.327 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNc1cccc(Br)n1)c1ccc(S(C)(=O)=O)cc1 1637333088 NXKBGLBLRUFBMP-QGZVFWFLSA-N 455.334 1.742 50 10 JDGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 1672588233 VPIQLLFXAURICL-MRXNPFEDSA-N 454.483 1.982 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)COc3ccc(Br)cc3)[C@H]2C1 1681771804 XIBYKOPMVCBUSP-JQFCIGGWSA-N 453.337 1.805 50 10 JDGE CC(C)N(CC(=O)N[C@@H](CO)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867228404 UKINLIWDAGNHIC-IBGZPJMESA-N 494.570 1.914 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@]1(CBr)CO2 2033611780 UDQYDIBYRIKVPB-BFUOFWGJSA-N 471.373 1.877 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1nnc(CBr)s1 2072476338 LWJKMIJJQYUTNR-INIZCTEOSA-N 491.364 1.877 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(F)cc2B(O)O)C1 2268791894 ANQYMQJIUQVRRZ-UHFFFAOYSA-N 458.295 1.898 50 10 JDGE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CCOCCCl 2364429495 PJBGCCFLBLRSPP-UHFFFAOYSA-N 453.584 1.962 50 10 JDGE CCOC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 100480535 RCEDVNZNMNXILI-QZTJIDSGSA-N 462.374 1.058 50 10 JDGE CN(C)C[C@@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 717364473 HBORHLFKCWRYOB-ZDUSSCGKSA-N 460.394 1.553 50 10 JDGE NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)NNC(=O)CCOc3ccccc3)c2)C1 731047436 OMSXVWKDNLZIIJ-FQEVSTJZSA-N 453.543 1.683 50 10 JDGE CC(=O)N[C@@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)c1cccc(Br)c1 1638063749 ZZLICXVTBHELCU-FHSNZYRGSA-N 455.353 1.273 50 10 JDGE C#CCCCC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1646461405 BLVFIAIDIUHJML-AWEZNQCLSA-N 456.362 1.801 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1C[C@H](CBr)CO1 2046023801 VRNBWVXTEPAZNL-VFVRVIDISA-N 477.352 1.730 50 10 JDGE C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 27497477 IOLHZMYMCHNHQD-UFFVCSGVSA-N 478.385 1.870 50 10 JDGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nonc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 59503383 HTYJZVWOCOOOQG-LQGKIZFRSA-N 452.343 1.414 50 10 JDGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)cc1OC 254685553 YBIGUSDODLWEEI-UHFFFAOYSA-N 459.499 1.929 50 10 JDGE COc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CSC1=NCCS1 254765265 WHDRZXOPRHXSMY-UHFFFAOYSA-N 459.517 1.341 50 10 JDGE aggregator O=C(OCc1ccccc1)N1CCC(NS(=O)(=O)c2ccc(Cl)c(B(O)O)c2)CC1 2282365706 CUCBGEYWHBLUFO-UHFFFAOYSA-N 452.725 1.099 50 10 JDGE CC(C)c1cc(B(O)O)cc(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1 2282463728 DLUSAAKNEXRWHI-UHFFFAOYSA-N 479.383 1.638 50 10 JDGE CC(C)C(=O)Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)c2[nH]1 204750170 HKUCCPHGYWSUOP-GNTLTTKYSA-N 467.599 1.355 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(O)cc3O)nnn2-c2nonc2N)c1 254896508 VXAUQMRYRUPGLZ-UHFFFAOYSA-N 450.415 1.473 50 10 JDGE CN1C[C@@H](Br)[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942693112 MDSQGNJEZDQCBW-HZPDHXFCSA-N 458.378 1.450 50 10 JDGE Cn1ncc(CNC(=O)OC(C)(C)C)c1NS(=O)(=O)N1CCC(Br)CC1 2126439328 SRENYBALEPYCNP-UHFFFAOYSA-N 452.375 1.961 50 10 JDGE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=Nc1ncc(Br)cc1B(O)O 2231672785 SZBSAKHKMNQFMR-AREMUKBSSA-N 450.164 1.558 50 10 JDGE COc1ccc(B(O)O)c(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c1 2266928125 GPSDJDWJPIBSLO-UHFFFAOYSA-N 456.304 1.568 50 10 JDGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NNC(=O)c2ccccc2)C(C)C)c1 9490976 MJFHBPZMPDKVLS-FQEVSTJZSA-N 474.583 1.933 50 10 JDGE Cc1ccc(/C=N/Nc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2N)cc1 20924153 JNAYDVGBGHTCSW-LSHDLFTRSA-N 458.935 1.953 50 10 JDGE COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N(CCN2CCOCC2)C(=O)C(C#N)=C1C 102675985 QCVGTBHMVXHRGF-NBVRZTHBSA-N 484.509 1.327 50 10 JDGE COc1cc(OC)c(OC)cc1C=NNC(=O)CC(=O)NN=Cc1cc(OC)c(OC)cc1OC 254898199 PHWOEKJVTPYWBY-UHFFFAOYSA-N 488.497 1.729 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cccc4cnccc34)c2)CC1 1648728029 ZEHJBIJKPUOLNM-UHFFFAOYSA-N 453.524 1.845 50 10 JDGE CC1=N[C@]2(/C(C)=N/NC(N)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C/C(=N\NC(N)=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 1848432697 PAELSKDZRPCXOH-KTUMTSLZSA-N 497.600 1.930 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2057886461 ZTRBDJSIGIWYMD-JQFCIGGWSA-N 471.373 1.734 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCS(=O)(=O)CCBr 2314186192 KIUYUJNPFOYPDP-UHFFFAOYSA-N 495.417 1.038 50 10 JDGE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NNC(=O)C1CCC1 253574033 SCIBERSCLUGQEK-REZTVBANSA-N 463.436 1.107 50 10 JDGE C=C(CC)CNC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1470504521 UBUXOLOOWYNXNB-MRXNPFEDSA-N 454.549 1.249 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCN(CCBr)CC1 2108243079 IJBBBXFHPKWNFS-IBGZPJMESA-N 490.395 1.743 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@H](C1)C2Br 2111474124 USZOKYFASMTMLI-ICMXQALXSA-N 489.363 1.682 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2COC[C@]2(CBr)C1 2213808457 GDCYPQNKNWLDQH-UGSOOPFHSA-N 457.346 1.346 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCCc2ccc(B(O)O)cc21 2268721234 IKEGRJYZHCZVLU-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2cccc(B(O)O)c2C1 2284043769 XTTVPLGYIQERKL-HXUWFJFHSA-N 468.359 1.751 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCCN(CCCBr)CC1 2302221260 MDPPKLAXDPGPCQ-UHFFFAOYSA-N 458.378 1.405 50 10 JDGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630333 UILKVBNHYSGVOW-JCVNQNCUSA-N 456.524 1.762 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)CCCS(=O)(=O)c3ccccc3)cnc2s1 1865845076 HIVMJYNWUMWHSF-UHFFFAOYSA-N 462.553 1.422 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H](CCl)[C@H]1OC 2233356571 QBHUKCGYMOWMSZ-GVDBMIGSSA-N 458.964 1.592 50 10 JDGE Cc1c(B(O)O)csc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2267039867 MEPSNUUBVKWCHL-SFHVURJKSA-N 473.404 1.588 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2310017324 ZTRBDJSIGIWYMD-KBRIMQKVSA-N 471.373 1.734 50 10 JDGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Br)o1 13630174 JRDGSVRREZBMIO-SECBINFHSA-N 455.290 1.319 50 10 JDGE Nc1c(NCCCN2CCOCC2)ncnc1NNC(=O)c1ccc(Br)cc1 40756657 QPYOTCMQUITMTA-UHFFFAOYSA-N 450.341 1.712 50 10 JDGE CCOC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 100480544 RCEDVNZNMNXILI-ROUUACIJSA-N 462.374 1.058 50 10 JDGE COC(=O)[C@H](I)CNC(=O)c1ccccc1I 234599996 WSBKSAVLDOOMPS-SECBINFHSA-N 459.021 1.998 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3ccc(O)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(O)cc1 254840884 PRNGWPHJMXIJDB-IBGZPJMESA-N 461.499 1.312 50 10 JDGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276617 IVEBYOQNWHCHIR-HZMBPMFUSA-N 467.375 1.223 50 10 JDGE CCOc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771238 NZKRFCJPKOCIHJ-UHFFFAOYSA-N 456.524 1.962 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2256640815 VWAYQPQKTGQADX-UHFFFAOYSA-N 461.393 1.413 50 10 JDGE Cc1csc(CN(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2256679726 YWYREEYFXAOEFE-QGZVFWFLSA-N 462.377 1.805 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3c(B(O)O)cccc32)CCN(Cc2ccccc2)C1 2284057613 BJBMWBJSBCPFMJ-RUZDIDTESA-N 465.359 1.425 50 10 JDGE N#CC(=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NCc1ccco1 2314435449 GYOWEUYAHUVADQ-UHFFFAOYSA-N 461.478 1.854 50 10 JDGE O=C(NCCS(=O)(=O)CCBr)c1cc(I)ccc1F 2335772591 GFDYLJSWEYZSOD-UHFFFAOYSA-N 464.094 1.970 50 10 JDGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])s2)nnn1-c1nonc1N 254401020 UGYSUEFCKYQKBZ-JTQLQIEISA-N 460.480 1.341 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccccc2[N+](=O)[O-])nnn1-c1nonc1N)c1ccccc1 254479582 ZLXBOAZKUYRTLQ-UHFFFAOYSA-N 462.430 1.541 50 10 JDGE CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc2[N+](=O)[O-])CC1 748281213 YHAYBDCTWGRLLY-HXUWFJFHSA-N 453.455 1.028 50 10 JDGE COc1cc(C=NNc2nc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc(OC)c1OC 1084474348 PDJQBWGNGFOYCU-NSHDSACASA-N 477.547 1.705 50 10 JDGE Cc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2Br)c1I 2121335999 DKBGIPOZZZLRNN-ZJUUUORDSA-N 458.115 1.890 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256679889 OJVSVXWBSRJKPU-PBHICJAKSA-N 463.365 1.452 50 10 JDGE Cc1csc(CNC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)c1B(O)O 2268794063 PTJPLCKILOFZIO-UHFFFAOYSA-N 474.388 1.806 50 10 JDGE Cc1nsc(B(O)O)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2282451469 PHKUSKAEGNCVHM-UHFFFAOYSA-N 498.411 1.061 50 10 JDGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 14022014 ICYXTZWYZYHSEL-UHFFFAOYSA-N 460.468 1.876 50 10 JDGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCCc3ccccc3)c(NCCOCCO)nc12 102839198 SIXUTNGAIPGZJU-SILNSSARSA-N 461.522 1.690 50 10 JDGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 254295814 DTOPCAWDQAAYDC-UHFFFAOYSA-N 477.397 1.358 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccncc1)C=2C(=O)Nc1ccc(C)c(C)c1 1080323661 CHGOOLRPWCXHFD-FQEVSTJZSA-N 487.541 1.113 50 10 JDGE COc1cc(C=NNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 1084312677 MIGBVGPSDWUPTO-UHFFFAOYSA-N 478.527 1.442 50 10 JDGE COc1cc(C=NNC(=O)CCC(=O)NN=Cc2ccc(CC(=O)O)c(OC)c2)ccc1CC(=O)O 1088508445 XMXJUUYUFOMAJM-UHFFFAOYSA-N 498.492 1.339 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3cc(F)ccc3C)ccc2F)CC1 1166476659 HRZGERVELHKQDF-UHFFFAOYSA-N 452.483 1.883 50 10 JDGE CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)CCC[C@H]2C1 1686694232 JYALFXYJZVCAKO-NNWRFLSQSA-N 456.591 1.176 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)C2Br 2002468068 CKDZOWDGWVOPQB-OCZCAGDBSA-N 457.346 1.344 50 10 JDGE CC1(C)OCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H]1CBr 2247966713 AFMIQXDUCBBZEB-OAHLLOKOSA-N 459.362 1.877 50 10 JDGE Cc1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(C)cc2)cc1 100046075 WKUKOWHIPPHGGG-UHFFFAOYSA-N 470.526 1.616 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21)c1ccc(O)cc1O 254291530 SJJVYYYCYSVNAJ-UHFFFAOYSA-N 475.469 1.360 50 10 JDGE COc1cc(C=NNc2nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1084236435 JPRGOEGFMNNVCW-VIFPVBQESA-N 466.480 1.157 50 10 JDGE OB(O)c1c(I)ccc(I)c1OC(F)(F)F 2060034159 FPFITSWEHHFBJO-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)ccc2B(O)O)CCN1C(=O)OC(C)(C)C 2267356256 KTXQCELFKXLHOV-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B(O)O 2289667080 YPALMBUOHOGISO-OAQYLSRUSA-N 473.354 1.190 50 10 JDGE CC(C)(C)OC(=O)NC[C@@]1(Oc2cc(B(O)O)c(F)cn2)CCCN(Cc2ccccc2)C1 2343958642 PZUMTKFLKYSDEE-QHCPKHFHSA-N 459.327 1.839 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2C(=O)O)c1-c1ccc([N+](=O)[O-])cc1 254315644 BQFSTLXNXCKISS-UHFFFAOYSA-N 463.370 1.270 50 10 JDGE CC(=O)O[C@H](CBr)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](CBr)OC(C)=O 306122396 UKPLTNPGLVFJHC-CRWXNKLISA-N 476.114 1.503 50 10 JDGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1 727556696 BZBCRIIEBXVRAE-UHFFFAOYSA-N 452.511 1.955 50 10 JDGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)ccc1F 1569519719 GEAANTHLNPKNCE-UHFFFAOYSA-N 456.521 1.297 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 1594437656 SCHIBGLWRDVYPA-UHFFFAOYSA-N 450.567 1.382 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)COc3ccc(Br)cc3)[C@H]2C1 1681771805 XIBYKOPMVCBUSP-RRQGHBQHSA-N 453.337 1.805 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(F)cc1I 2121336642 IAPWTAIXYDKENW-PSASIEDQSA-N 462.078 1.721 50 10 JDGE Cc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2Br)cc1I 2224629877 RAEQYORAGQOADV-KOLCDFICSA-N 458.115 1.890 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1c(Cl)cccc1B(O)O 2255787305 XCNGGJYQDLMEIW-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc2C1 2283957396 PHWVNJAYOCHGDM-VGSWGCGISA-N 468.359 1.750 50 10 JDGE O=C(CSc1n[nH]c(N/N=C/c2cccc(Br)c2)n1)NNC(=O)C(F)(F)F 20832022 JHUUOGHKXXPNEH-BLLMUTORSA-N 466.243 1.815 50 10 JDGE COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c1OC 96930708 UUIHHIDFFJDBHR-PLNGDYQASA-N 488.316 1.526 50 10 JDGE CCOc1c(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cccc1OC 169891700 HOAQZHQFEZUTIL-MTEVNVADSA-N 455.496 1.849 50 10 JDGE C=CCNC(=S)NNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1463672782 KZWQHTAMNZYENV-UHFFFAOYSA-N 452.536 1.664 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1cccc2cccnc12)c1ccc(S(C)(=O)=O)cc1 1542381245 REUTZCFYQGVHGB-QFIPXVFZSA-N 454.508 1.451 50 10 JDGE COC[C@@](C)(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546153 YAVPKPIZVGTPAH-DLBZAZTESA-N 465.341 1.730 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(CCBr)CC1 2046028732 KSEVEMQJXMVDFT-GOSISDBHSA-N 476.368 1.353 50 10 JDGE NNC(=O)[C@@H]1CCC[C@H](Cn2cnc(I)c2I)O1 2073542387 PZOMUNCSLOYLDR-RQJHMYQMSA-N 476.056 1.020 50 10 JDGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268632624 MFLRPWQEHXYKDF-NRFANRHFSA-N 455.364 1.893 50 10 JDGE COc1ccc(CNC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278707502 NVKAKKQXGXGLMI-LJQANCHMSA-N 458.320 1.101 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCCc2ccc(B(O)O)cc2)C1 2284179416 HGRTYMSCNKDYMW-UHFFFAOYSA-N 468.359 1.479 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c(OC)c1OC 254577113 IPDHAAHTLKSLEG-UHFFFAOYSA-N 478.469 1.998 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)c(=O)c2c1C 1865851400 ARHMPJANIZQZJH-UHFFFAOYSA-N 481.534 1.931 50 10 JDGE Cn1nnc(Br)c1S(=O)(=O)NCCSSCCNC(=O)OC(C)(C)C 2061271187 WHBFJYBXXKYLKY-UHFFFAOYSA-N 476.444 1.762 50 10 JDGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179813802 YUDDFQLKXXXVPV-ZWKOTPCHSA-N 455.378 1.552 50 10 JDGE Cc1ccc(B(O)O)cc1S(=O)(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2247946494 KIDWXCZYPFZOGJ-UHFFFAOYSA-N 480.351 1.492 50 10 JDGE CC(=O)O[C@@H]1C=COC=C2C[C@@]34SS[C@@]5(CC6=COC=C[C@H](O)[C@@H]6N5C3=O)C(=O)N4[C@@H]21 100520821 HXWOWBFXYUFFKS-AZMYGXNZSA-N 462.505 1.138 50 10 JDGE in-man COc1ccc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)cc1CSC1=NCCS1 254501358 RJGFRDJWTAWXTE-UHFFFAOYSA-N 473.544 1.649 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1O 254706423 UPSPBNFJCZOYEF-GFCCVEGCSA-N 455.479 1.085 50 10 JDGE CC1(C)S[C@@H]2[C@H](NC(=O)/C(C#N)=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)O 1866131054 WJXCHGRXCXMTIE-ZYNPTJDKSA-N 450.314 1.988 50 10 JDGE COC[C@H](CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543149 MLWLHTDACSKKTD-SJCJKPOMSA-N 465.341 1.730 50 10 JDGE CN(C)C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2058548129 KDFQFBLVXLGNJW-CABCVRRESA-N 472.405 1.792 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)N(C)C[C@H]1C[C@H](Br)C1)NC(=O)OCc1ccccc1 2258190014 OSGVTYYLPHLNIC-BZUAXINKSA-N 477.377 1.890 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2268646325 YETBNQOSEJWZNB-SFHVURJKSA-N 476.722 1.985 50 10 JDGE CC(C)NC(=O)NNC(=O)CCCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 745139252 AFTLXLSKJDZREF-UHFFFAOYSA-N 475.999 1.619 50 10 JDGE CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 853447616 IFVFDMBEALKCHG-CQHJRZBDSA-N 474.521 1.993 50 10 JDGE C#C[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1CCCO1 1234625160 CORHHIKSCMIZHK-UXHICEINSA-N 456.524 1.290 50 10 JDGE N#CSc1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 1868134909 DPDFZBMKAFMBEF-GOSISDBHSA-N 493.588 1.589 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H](CBr)C1 2046018614 JQUUDMPSFYSXDG-ACJLOTCBSA-N 477.352 1.684 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@H]21 2046022076 HNAHLDWOINPGSN-AFIMGQEJSA-N 475.336 1.435 50 10 JDGE CC(C)(C)OC(=O)NCCc1nc(NS(=O)(=O)N2CCC(Br)CC2)n[nH]1 2126767927 MEYCLKHILRUYOZ-UHFFFAOYSA-N 453.363 1.388 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)Cc1cccc(B(O)O)c1)OCc1ccccc1 2255890443 OQAUNCMXMJLGQM-UHFFFAOYSA-N 464.349 1.155 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Nc2nccc(B(O)O)c2F)C1 2259427028 BAUZMYCZGIIZER-UHFFFAOYSA-N 454.308 1.169 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2nc(B(O)O)ccc2Cl)CCN(Cc2ccccc2)C1 2268633939 FPRAEWAAMIKUFW-QFIPXVFZSA-N 474.754 1.523 50 10 JDGE COc1cc(B(O)O)ccc1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2281704648 LVSLRCURTFDKHO-UHFFFAOYSA-N 460.339 1.576 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c1B(O)O 2282373294 KNCLBGSBUNADKK-JKSUJKDBSA-N 452.363 1.123 50 10 JDGE O=C(NCC1(F)CCN(C(=O)OCc2ccccc2)CC1)c1cc(B(O)O)c(Cl)s1 2282427907 XGMOSKULVVBOJP-UHFFFAOYSA-N 454.716 1.952 50 10 JDGE C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1 10679250 NKNYQQSIJZCWQV-ZDUSSCGKSA-N 457.537 1.469 50 10 JDGE CCn1c(SCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1-c1ccco1 26772684 RKBAKKYPSIVFOW-UHFFFAOYSA-N 492.583 1.427 50 10 JDGE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)c1C 59831611 AVEYFHYDFHOMEB-SRZZPIQSSA-N 453.532 1.803 50 10 JDGE CC(C)Cn1ncc2cc(C(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)cnc21 728340212 JAUDGEXLPDHYRY-GOSISDBHSA-N 453.455 1.232 50 10 JDGE CC(=O)N1CCN(C(=O)CCNC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 730783017 BFUQVUXQCMMJBJ-LTGZKZEYSA-N 473.537 1.568 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@H](CBr)C1 1942087217 FNINZTUMRNHYAA-CQSZACIVSA-N 459.362 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CCN([C@@H](CNS(=O)(=O)CI)C(F)F)CC1 2017405830 MSDMETLPKPYDCI-JTQLQIEISA-N 483.319 1.485 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2sccc2B(O)O)CCN(Cc2ccccc2)C1 2256612966 HEDRQAUVSCNMAG-QFIPXVFZSA-N 459.377 1.214 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)s1 2256624446 WJDJDKUCRIETHC-GOSISDBHSA-N 461.393 1.412 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cccc(F)c2B(O)O)C1 2266939631 ZVLICNIRWQADNT-UHFFFAOYSA-N 458.295 1.130 50 10 JDGE CCOC(=O)C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 2313607125 QWINWVZBJDNSQX-UHFFFAOYSA-N 461.327 1.853 50 10 JDGE CC(=O)NNC(=O)CSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226829863 IAJGVJXXNPILOY-LJQANCHMSA-N 457.508 1.879 50 10 JDGE N#CC1=C(N)n2c(sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 254746572 HRPMQURERTYCRG-IBGZPJMESA-N 472.442 1.678 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NNC(=O)c1ccccc1 1083892743 JEJDDXRMQIIBGO-UHFFFAOYSA-N 456.444 1.418 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@@H]21 1996521292 LDBPBPRPURFWDT-JYJNAYRXSA-N 457.346 1.487 50 10 JDGE COC[C@H](Br)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539429 ALJQXJVOYBMYDB-SJKOYZFVSA-N 465.341 1.730 50 10 JDGE O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NNC(=O)c1cc(Br)c[nH]1 28079957 IKANZFRYSVLOCI-UHFFFAOYSA-N 470.287 1.593 50 10 JDGE CN1C(=O)/C(=N\NC(=O)c2cccc(C(=O)N/N=C3/C(=O)N(C)c4ccccc43)c2)c2ccccc21 101418008 YTDAKQDOQNZKKH-KKTFQPMKSA-N 480.484 1.908 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccc(F)c1)C=2C(=O)Nc1ccc(C)cc1 199503371 VFPSUOZMWBZXBA-OBXYEHHASA-N 490.516 1.549 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccccc3OCC(=O)O)nnn2-c2nonc2N)c1 254515223 WWAQPKIVSMNDJB-UHFFFAOYSA-N 492.452 1.526 50 10 JDGE O=C(CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 379435613 UJGCCUVYDXTQFX-ILXRZTDVSA-N 478.976 1.010 50 10 JDGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nn(CCC)c(=O)c2ccccc12 1135538330 QIWXYDRVPVEOTC-QGZVFWFLSA-N 455.515 1.874 50 10 JDGE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)C(C#N)=C(C)N 2053510587 JVROJKNPXXILOT-HNNXBMFYSA-N 454.892 1.968 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2c[nH]ccc2=NS(=O)(=O)CI)CC1 2085349807 YXRJWGIBEOEJAM-UHFFFAOYSA-N 482.344 1.695 50 10 JDGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CO1 2106305713 RCOIZSBMPUEUEP-TZMCWYRMSA-N 456.403 1.610 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2256621305 SQKMWROLQMLCCN-HNAYVOBHSA-N 462.377 1.851 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc2C1 2283955254 DHCQRTZDNYAHDV-JTSKRJEESA-N 468.359 1.750 50 10 JDGE COc1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)cc(OC)c1OC 59830866 YWDULJBIFYKPOT-SSDVNMTOSA-N 485.526 1.830 50 10 JDGE CC(=O)N[C@@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1cccc(Br)c1 1461587417 CSSKPTOWDPNVPJ-MRXNPFEDSA-N 455.353 1.716 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1C[C@H](Br)CCO1 1948600566 BLQXNJNRPVEODU-ZIAGYGMSSA-N 459.362 1.925 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCN(CCCBr)CC1 2003770408 AXTBVEISERGJEK-UHFFFAOYSA-N 458.378 1.405 50 10 JDGE COc1cc(B(O)O)c(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1OC 2281835950 XLCVKVVOYZTDCV-UHFFFAOYSA-N 472.347 1.941 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc2C1 2283957391 PHWVNJAYOCHGDM-JTSKRJEESA-N 468.359 1.750 50 10 JDGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 217229278 UPXMLQSWBAGIHN-HVCHUGMYSA-N 455.924 1.645 50 10 JDGE CSCC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(=O)NC(C)C 745139278 AYBXNRCXAUSUOS-OAHLLOKOSA-N 494.039 1.181 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2ccc(B(O)O)cc21 2268710088 GOFRUGUOMIBLQS-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(O)=NC(=O)C(C#N)=C3C)cc2)nc(OC)n1 100374205 MSCKBOTUROJWOG-XNTDXEJSSA-N 470.467 1.927 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@]12CC[C@@](CBr)(C1)OC2 2015980629 CQKHBELVECPPQB-ROUUACIJSA-N 457.346 1.679 50 10 JDGE Cc1sc(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(B(O)O)c1C 2284054363 BJEQXHJOJZXAMV-XMMPIXPASA-N 487.431 1.830 50 10 JDGE C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288470503 BOEINSSPDUWLQD-CYBMUJFWSA-N 468.414 1.801 50 10 JDGE CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 14011435 BSWDCAGBCMFOMI-UHFFFAOYSA-N 456.524 1.847 50 10 JDGE Cn1c(=O)c2c(ncn2CC(=O)NN=Cc2ccc(-c3ccc(OC(F)(F)F)cc3)o2)n(C)c1=O 254522017 PDSRIRUVLZJOKY-UHFFFAOYSA-N 490.398 1.743 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)NCC(F)(F)F)CC2)cc1 1635258534 YUNVLJJBYSGRFW-UHFFFAOYSA-N 450.439 1.183 50 10 JDGE CN1C(=O)c2ccc(N3C[C@H](C(=O)N4CCC[C@@H](C(=O)NNc5ccccn5)C4)CC3=O)cc2C1=O 1872962051 OZUZIZRYSDQHBM-HZPDHXFCSA-N 490.520 1.042 50 10 JDGE C[C@@H]1CO[C@@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046029968 UZFRSAJTTFIHMR-VBHSOAQHSA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)N1CCCO[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2106297618 YOCBKCUGMGMKBB-CQSZACIVSA-N 456.403 1.706 50 10 JDGE C[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256622882 MVRRDJIFJHDVNX-BEFAXECRSA-N 461.393 1.630 50 10 JDGE CC(C)C(=O)Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3O)c2[nH]1 199942234 RUKACXRBRJHKDV-ZLJVHPLZSA-N 467.599 1.355 50 10 JDGE O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NNc1ccc(F)c(F)c1F 727759571 FNVVZXDHDVZALU-UHFFFAOYSA-N 470.473 1.860 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)c1 1455415822 IRNOEDVZXXVRPW-UHFFFAOYSA-N 459.484 1.795 50 10 JDGE C[C@@H](Br)C[C@H]1COCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2013002666 SZBXBQPIYFEOTF-KGLIPLIRSA-N 459.362 1.877 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(B(O)O)cc1 2255771545 YSPCEDNANISEAY-UHFFFAOYSA-N 462.377 1.613 50 10 JDGE Cc1sc(B(O)O)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2267083451 AHTCVIHJDIHMGG-SFHVURJKSA-N 473.404 1.588 50 10 JDGE COC(=O)[C@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827541 RPQKHPNZURFRMK-OAHLLOKOSA-N 475.361 1.699 50 10 JDGE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1 20899462 ZLNCQNWAOZFKMK-INIZCTEOSA-N 472.350 1.988 50 10 JDGE CCCOc1c(I)cc(/C=N/NC(=O)CN2CCOCC2)cc1OC 33536212 OQOFSCMZTHVSIS-YBFXNURJSA-N 461.300 1.871 50 10 JDGE COc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc(Br)c1OC(C)C 169892605 JFVMERVOONUIBY-UFWORHAWSA-N 454.281 1.099 50 10 JDGE CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc([N+](=O)[O-])cc1 254905643 YVPDQYRNYRYEAR-UHFFFAOYSA-N 459.528 1.750 50 10 JDGE C#CC[C@@]1(C(=O)NNC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1558446811 CIECYNYTHSZCDC-NYHFZMIOSA-N 450.536 1.936 50 10 JDGE C=CCNS(=O)(=O)c1cc(C(=O)N(c2nc(CC(=O)OC)cs2)N(C)C)ccc1F 1586083439 LDFYQDIXJARRIG-UHFFFAOYSA-N 456.521 1.585 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc21 2268648984 AANHRPDDKMHSAP-HXUWFJFHSA-N 453.348 1.281 50 10 JDGE Cc1ccc(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278710333 SXOGLEDCUSOQFZ-FQEVSTJZSA-N 456.348 1.791 50 10 JDGE Cc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2287639286 QXRQVZJYEYGDCO-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE COc1ccc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2296185942 JQGOXTFAGFBBMJ-LJQANCHMSA-N 472.347 1.491 50 10 JDGE Cc1cccc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2cccc(C)c2C)c1C 100187396 KTMKKULFDOUNER-UHFFFAOYSA-N 484.553 1.843 50 10 JDGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NN3CCOCC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 215667190 FBQSKFBDDWKIAP-JYBFDODKSA-N 468.547 1.881 50 10 JDGE biogenic Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc3cccnc23)C1 728211335 SPFMFUUNMGMDAH-MRXNPFEDSA-N 456.528 1.437 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc4ccccc4n3)cc2)CC1 1632125454 XOWJPYNXYQVILK-UHFFFAOYSA-N 453.524 1.845 50 10 JDGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860771685 DKLMVOAEAYVXCM-CHWSQXEVSA-N 493.545 1.587 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](CNS(=O)(=O)CI)C2)C1 1983329106 GJMOBSWZZDAEOH-FZMZJTMJSA-N 460.334 1.714 50 10 JDGE CN(CCCBr)S(=O)(=O)N1CC[C@H](N2CCN(Cc3ccccc3)CC2)C1 2179865677 VRFGAZLDWMEKCQ-IBGZPJMESA-N 459.454 1.840 50 10 JDGE O=C(NOCCCNC(=O)c1cocc1B(O)O)OCC1c2ccccc2-c2ccccc21 2244214122 NTHPTMOIJZKDFU-UHFFFAOYSA-N 450.256 1.550 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](OC2CCN(S(C)(=O)=O)CC2)C1 2249187377 HOGQIURRTLRDBY-QWHCGFSZSA-N 474.361 1.850 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B(O)O)ccc1F 2268653374 LZZRSXNDMVSGBZ-YWZLYKJASA-N 460.311 1.620 50 10 JDGE COc1ccc(C(=O)NCC(=O)NN=Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)cc1OC 2296645843 KCIWHSDLDMNYRF-UHFFFAOYSA-N 467.482 1.991 50 10 JDGE O=C(CNC(=O)C1CCCCC1)NNC(=S)NC(=O)c1ccccc1I 13985404 JGSHLNWCXDTUSC-UHFFFAOYSA-N 488.351 1.623 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)c1 1617079684 QDEASDSUKCQISU-UHFFFAOYSA-N 455.496 1.205 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C1 1872962024 OJBDVNLQMACPMD-RTBURBONSA-N 453.518 1.994 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B(O)O)cc1 2140560495 ZQHOLOPZPMNNIZ-OAQYLSRUSA-N 455.364 1.050 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256679901 OJVSVXWBSRJKPU-YOEHRIQHSA-N 463.365 1.452 50 10 JDGE CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)NC(=O)NC2=O)cc1 2297548837 GNMSXLHKFFNHSH-UHFFFAOYSA-N 476.493 1.142 50 10 JDGE O=C1N=c2ccc(F)cc2=C1NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 38168212 ZCMZLHWNCNPMSS-UDWIEESQSA-N 473.420 1.094 50 10 JDGE C#CCOCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1230803970 NENVFFVDWKHBLQ-UHFFFAOYSA-N 450.904 1.735 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860769902 LBUFIZHHAFUIEF-GFCCVEGCSA-N 479.518 1.026 50 10 JDGE COc1cc(C=CC(=O)O)cc(S(=O)(=O)NNC(=O)COc2ccccc2C)c1OC 2040454596 ZFKRVKKWRZIBHM-UHFFFAOYSA-N 450.469 1.499 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@]1(CBr)CCCO1 2073633987 UYKDZUVVBDONOG-MSOLQXFVSA-N 477.352 1.874 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B(O)O)ccc1Cl 2256628944 OPFYRAMTBNIEED-IBGZPJMESA-N 461.755 1.984 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)s1 2268795378 WLDSZVQDVRXKJN-UHFFFAOYSA-N 474.388 1.806 50 10 JDGE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C(C)(C)C)n1N 20912161 KIDQMFXKKFBXPV-DNTJNYDQSA-N 450.573 1.118 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)c1OC 254411678 QIURCZXNHFLRDB-UHFFFAOYSA-N 477.485 1.650 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccccn2)cc1)NCCc1ccccc1 1084183981 JZYTVHSPJYHVMV-UHFFFAOYSA-N 459.506 1.586 50 10 JDGE COc1cc(C(=O)NNC(=O)c2ccccc2S(C)(=O)=O)c(Br)c(OC)c1OC 1865756836 ZAFXUQZRNYORHZ-UHFFFAOYSA-N 487.328 1.953 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@H](C1)C2Br 2111474125 USZOKYFASMTMLI-YFECMGCGSA-N 489.363 1.682 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2163055990 NCHNVLFDHNFEKW-HUUCEWRRSA-N 468.414 1.801 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@]2(CCOC2)C1 2163058590 LWXKXTWGFNDTLR-RHSMWYFYSA-N 468.414 1.849 50 10 JDGE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240343457 SCJSLDUEVUVKLO-AWJSGTLTSA-N 462.175 1.557 50 10 JDGE COc1cc(/C=N/Nc2nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)cc(OC)c1OC 59883768 HRHBXFLLIAUZOX-GXBAXFRPSA-N 465.536 1.561 50 10 JDGE Cn1c(O)nc(=O)c2c1nc(N1CCCCC1)n2CCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 254846015 HKXOCYGPJBMGQU-UHFFFAOYSA-N 468.474 1.275 50 10 JDGE CC1=N[C@@]2(C(C)=NNC(N)=O)[C@@H](C[C@@H]3[C@H]4CCC5=CC(=NNC(N)=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]32C)O1 1083142893 PAELSKDZRPCXOH-KZHQBKTMSA-N 497.600 1.930 50 10 JDGE Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2Cl)cc1S(=O)(=O)N(C)C 1857965470 NQGKEBWXGLVHAP-UHFFFAOYSA-N 452.920 1.090 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@]2(C[C@@H](Br)CO2)C1 2023480483 BUNFVVRSNVTRIW-ACJLOTCBSA-N 457.346 1.631 50 10 JDGE Cc1nc(I)c(I)n1C[C@H]1CC[C@@H]1C(=O)NN 2215776151 LCIJDCDPWMIMHT-RQJHMYQMSA-N 460.057 1.417 50 10 JDGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CB(O)O)C(=O)O 2248874438 HQYAWIQAOXHIIY-LEWJYISDSA-N 468.315 1.982 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCc2c(B(O)O)cccc21 2283948688 PRZXNJIVFQHKHX-IBGZPJMESA-N 468.315 1.282 50 10 JDGE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 726499608 IHLHFZQWZVCAQY-UHFFFAOYSA-N 485.566 1.340 50 10 JDGE CC(C)n1nc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c2ccccc2c1=O 749160001 BASFSQFMSIDUTM-MRXNPFEDSA-N 489.579 1.653 50 10 JDGE CC(=O)c1nc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc1C 1476625103 HWVSSOOUBFEFOC-UHFFFAOYSA-N 451.530 1.905 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)CSc2ccccc2OC)s1 1545846376 LPXXKQKUGZAORM-UHFFFAOYSA-N 455.583 1.703 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)C1CC(OCc2ccccc2)C1 1977069260 CUMAUGVUPCNAKG-RUXDESIVSA-N 453.298 1.630 50 10 JDGE Cc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Br)c1I 2121335998 DKBGIPOZZZLRNN-VHSXEESVSA-N 458.115 1.890 50 10 JDGE CC(C)(C)OC(=O)NCC1CCS(=O)(=Nc2ncc(Br)cc2B(O)O)CC1 2240345673 WGAUTFOUJGAHRW-UHFFFAOYSA-N 462.175 1.558 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B(O)O)c1 2268646016 IABFZTWUPKPNSU-UTKZUKDTSA-N 456.348 1.823 50 10 JDGE CP(C)(=O)[C@@H]1C[C@@H](N=C=O)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2370156679 PDKAVHKCWUQOIP-HUUCEWRRSA-N 453.457 1.404 50 10 JDGE C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN/C=C1/C=C([N+](=O)[O-])C=C(OC)C1=O 137969721 TUAKUTLPRIPWBF-QINSGFPZSA-N 497.537 1.947 50 10 JDGE COc1cc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C=3C#N)ccc1O 263627850 VXXCVDRTZFXXIN-OAQYLSRUSA-N 474.498 1.290 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H](NS(=O)(=O)CI)CO2)C1 2210517886 ZDBCOEPFLJMIIT-SMDDNHRTSA-N 460.334 1.857 50 10 JDGE CC(C)(C)OC(=O)NC[C@@]1(Oc2cc(B(O)O)c(Cl)cn2)CCN(Cc2ccccc2)C1 2263275969 KUQSFVQVBDXFFT-QFIPXVFZSA-N 461.755 1.963 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(F)c(B(O)O)c2)C1 2281686099 CCEKHNHMTVNCMI-IBGZPJMESA-N 471.338 1.357 50 10 JDGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H]1CCCO1 2318469942 ZRJANVDFYQHLOC-OAHLLOKOSA-N 454.936 1.475 50 10 JDGE CCOC(=O)C1CCN(C(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 2324567654 CZNAPIJCLJHIED-UHFFFAOYSA-N 460.556 1.202 50 10 JDGE CCn1c2ccccc2c2cc(/C=N\NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 33335658 KXJYQCMJIMSOJK-ZRGSRPPYSA-N 457.494 1.712 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 44608503 GRDUQQNEXMJRRS-IGKNDFSCSA-N 498.282 1.198 50 10 JDGE in-vitro COc1ccc(C(=O)NNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c(OC)c1 730495387 NANRRTVBNBFIIJ-KRWDZBQOSA-N 461.540 1.707 50 10 JDGE C#CCCCC(=O)NNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1558514012 WKWLFYUPTGWJSO-QGZVFWFLSA-N 455.540 1.674 50 10 JDGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CB(O)O)C(=O)O 2010397197 KKUBXNNVNVMPKK-DLPLYFIVSA-N 468.315 1.982 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CBr)C1 2223472859 PCGLIADGNRZPMO-LIRRHRJNSA-N 471.373 1.878 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccc(B(O)O)cc2F)CCN(Cc2ccccc2)C1 2285185523 BTAKIOJQVVJFSL-DEOSSOPVSA-N 471.338 1.291 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(CCOCCI)CCN2C1=O 2306803263 WWSUTGVMDVXVFA-CHWSQXEVSA-N 453.321 1.248 50 10 JDGE CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)[P@@]1(=O)OCCCN1CCCl 95904379 CPMUZAHZMMONPM-RUZDIDTESA-N 470.934 1.090 50 10 JDGE CC(C)(C)OC(=O)Nc1ccc(C(=O)NNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1858081960 UPQKISRPCCVMLU-UHFFFAOYSA-N 488.522 1.894 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)N([C@@H](C)CC)C4=O)cnc2s1 1865845142 KVYUZMIJCWIUMK-LBPRGKRZSA-N 481.534 1.876 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2029427434 YFHJWTUYJXOUPG-IAGOWNOFSA-N 472.405 1.792 50 10 JDGE Cc1ccc(I)c(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Br)c1 2232164609 IUJGZOXREYELEQ-ONGXEEELSA-N 458.115 1.890 50 10 JDGE COc1cccc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)c1OC(=O)c1ccccc1 254758731 OQUBEXLEEAKOFM-UHFFFAOYSA-N 462.426 1.533 50 10 JDGE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106774488 XFFZQUUBYHAYSX-MRXNPFEDSA-N 456.403 1.442 50 10 JDGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)COc1ncc(Br)cc1B(O)O 2240283294 HJIPMOKHHBUGDC-OAHLLOKOSA-N 451.073 1.938 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(B(O)O)cc1 2267231944 KFUBSHFJVPNCEQ-UHFFFAOYSA-N 465.356 1.294 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc21 2268654739 CXXKTFBXFJQRSE-IIBYNOLFSA-N 454.332 1.754 50 10 JDGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)Cc3ccccc3)c2[N+](=O)[O-])cc1 40659285 NLNVWGKYPUKRFX-UHFFFAOYSA-N 457.472 1.684 50 10 JDGE COc1cccc(-c2c(C(=O)NN=C(C)c3cccc(-n4cnnn4)c3)nnn2-c2nonc2N)c1 254699873 PLFLFXWUOWDZRL-UHFFFAOYSA-N 486.456 1.038 50 10 JDGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 727293581 ZNUQLLDUQHUNCO-NRFANRHFSA-N 452.511 1.938 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2185508410 GDAQLIQFUSXNNG-IAGOWNOFSA-N 455.378 1.969 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)N2CC(Cl)C2)CC1 2246898564 ZCSBBQBBWNLDLS-UHFFFAOYSA-N 483.031 1.944 50 10 JDGE O=C(NC1CCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)CC1)OCc1ccccc1 2267384693 FMJBINXBIRWDKC-UHFFFAOYSA-N 458.754 1.161 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(F)c(B(O)O)c1 2282239273 SFWKPDXXCRFLHJ-UHFFFAOYSA-N 483.346 1.434 50 10 JDGE O=C(COc1ccc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)cc1)NC[C@H]1CCCO1 254556495 GEPOUGVGMMDSAK-XMMPIXPASA-N 480.565 1.957 50 10 JDGE CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 750889075 WOAXSNRWCOLODT-FQEVSTJZSA-N 458.540 1.876 50 10 JDGE C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 1135385459 COTGUPXPOZQEDV-IBGZPJMESA-N 456.524 1.355 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)c1 1644838449 YFAQQYWJGYHGAB-QGZVFWFLSA-N 459.572 1.891 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@H](CBr)[C@@H]2C1 2010993545 NEXGBWFHKWUTON-BASYENTBSA-N 459.337 1.913 50 10 JDGE Cc1ccc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278701244 SXOGLEDCUSOQFZ-HXUWFJFHSA-N 456.348 1.791 50 10 JDGE COc1cccc(B(O)O)c1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2282389583 GLPBARAUXSRUBM-UHFFFAOYSA-N 460.339 1.576 50 10 JDGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40658118 JXTZXNSTNIYBGQ-UHFFFAOYSA-N 488.442 1.664 50 10 JDGE CCOc1ccc(C=NNC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 254287022 FUMMGIUUSQROFE-UHFFFAOYSA-N 458.540 1.750 50 10 JDGE COc1ccc(CCC(=O)NNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 742939203 BLKJCVGVMQRRFO-UHFFFAOYSA-N 455.559 1.789 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B(O)O)cc2C1 2268633217 BBMLBOKAUQFXGE-QRWLVFNGSA-N 474.388 1.811 50 10 JDGE O=S(=O)(CCBr)CCNS(=O)(=O)c1ccc(F)c(Br)c1 2360922287 XWHZBDVZIHLXOI-UHFFFAOYSA-N 453.149 1.676 50 10 JDGE O=C(C[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 1866098913 FISBMXSNZPDSMD-QFIPXVFZSA-N 461.279 1.342 50 10 JDGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866885074 DGIIWAGRCQCGTA-INIZCTEOSA-N 453.929 1.803 50 10 JDGE Cc1sc(C)c(S(=O)(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)c1B(O)O 2255889846 IVSPYKMLPMPJBA-UHFFFAOYSA-N 484.405 1.692 50 10 JDGE Cc1cc(S(=O)(=O)N[C@]2(C)CCCN(C(=O)OCc3ccccc3)C2)sc1B(O)O 2282738242 RSCIRJURGYDVCN-LJQANCHMSA-N 452.363 1.206 50 10 JDGE COc1cc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(O)c(OC)c2)C=3C#N)ccc1O 263627849 VXXCVDRTZFXXIN-NRFANRHFSA-N 474.498 1.290 50 10 JDGE CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)c3cc(Br)cn3C)ccc21 798149708 KKCDTIFSCSLLPK-UHFFFAOYSA-N 455.334 1.710 50 10 JDGE CC(=O)CC(C)(C)CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1440622657 IPLZKHAZEAPYLX-UHFFFAOYSA-N 453.561 1.183 50 10 JDGE C#CC[C@]1(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C 1537671000 NSBFHDDKBOLDIT-HSZRJFAPSA-N 456.547 1.633 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCN(CCBr)C1 2108244626 RCQBDYRXKNDVOG-KUHUBIRLSA-N 490.395 1.790 50 10 JDGE O=S(=O)(NC[C@]12CN(Cc3ccccc3)C[C@H]1CCO2)N1CCC(Br)CC1 2175203932 WUBUYWRAUNKPRG-MJGOQNOKSA-N 458.422 1.971 50 10 JDGE CCOc1c(OC)cc(C=NNC(=O)c2cc(C)nn2-c2nnc(C)c(O)n2)cc1[N+](=O)[O-] 2323665949 CBAMQQVPODCNCI-UHFFFAOYSA-N 456.419 1.459 50 10 JDGE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)CCCBr)CC2)cc1 11796572 FYZABHDYQGIOJQ-UHFFFAOYSA-N 462.410 1.828 50 10 JDGE O=C(CBr)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169303438 LLJPZWYDUXHCIX-AIDMAPPWSA-N 463.372 1.836 50 10 JDGE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)cc2C1=O 1873777397 HUTTUZWDFIIZAP-UKRRQHHQSA-N 465.466 1.146 50 10 JDGE CCOC1(CBr)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2005164701 XIVPQUABOBBZBZ-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(S(=O)(=O)N3CCC(Br)CC3)[C@@H]2C1 2106782080 NSNDFXRXRUTVST-KGLIPLIRSA-N 454.387 1.411 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cccc(F)c1I 2121328935 GPLDPUALFBUCOD-IONNQARKSA-N 462.078 1.721 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)C2CC(B(O)O)C2)CC1 2255579125 OLJVJVISYZRFEX-UHFFFAOYSA-N 455.361 1.556 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B(O)O)c2C1 2268655759 PLOMFXOZEIPTOS-KKSFZXQISA-N 454.332 1.707 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2358558200 ZTNZJIZPJNZFGV-ZNMIVQPWSA-N 465.366 1.201 50 10 JDGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630319 BEZSRVPEWGEQFQ-UZYOAWRESA-N 457.468 1.272 50 10 JDGE COc1ccc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 252619154 LNMBDBJUGUMYGV-UHFFFAOYSA-N 472.414 1.901 50 10 JDGE O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)c1nn(-c2ccccc2)cc1O 749260549 HMOVQADHXYUTLF-AWEZNQCLSA-N 461.525 1.254 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3ccccc3S(=O)(=O)CC(C)C)cnc2s1 1865845109 JDILCRIKEGXWAC-UHFFFAOYSA-N 476.580 1.911 50 10 JDGE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106774487 XFFZQUUBYHAYSX-INIZCTEOSA-N 456.403 1.442 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(Cl)c(B(O)O)c1 2281711703 NOHYLCALNKQWIF-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/Nc1cccc(N/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c1 109799784 HEPBYCSRWKBAMW-AYKLPDECSA-N 456.462 1.956 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3cc(OC)c(O)c(OC)c3)nnn2-c2nonc2N)cc1 254700362 BKVVSNSHJQSDAL-UHFFFAOYSA-N 494.468 1.785 50 10 JDGE COc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860770297 BSOLLLDLLZEKRW-LBPRGKRZSA-N 492.579 1.925 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2C[C@@]1(CBr)CO2 1945793112 BKWAFYMWOWYBKY-FZKQIMNGSA-N 457.346 1.631 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](Nc2ncc(Br)cc2B(O)O)(C(F)(F)F)C1 2240343754 XAUQFESESZFDJL-AWEZNQCLSA-N 454.052 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2c(F)cc(F)cc2B(O)O)C1 2267383173 VIVOXHORBGQIQT-UHFFFAOYSA-N 482.314 1.455 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2c(B(O)O)cccc21 2268716259 CWZFNLFCCHMRNM-GOSISDBHSA-N 454.332 1.756 50 10 JDGE CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCOCCI 2306798346 DVHJVVDNJPTUHN-CYBMUJFWSA-N 455.337 1.495 50 10 JDGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2318463268 ZWMOOVFGBVFOGM-UHFFFAOYSA-N 471.495 1.956 50 10 JDGE NC(=O)C1CCN(C(=O)CCC(=O)NNc2nc3ccccc3c3nc(-c4ccccc4)nn23)CC1 4176176 IEVNSOADBJXPNQ-UHFFFAOYSA-N 486.536 1.892 50 10 JDGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2nn(CCC(C)C)c(=O)c3ccccc23)cc1 15245168 ZYARXZHFCMNEOF-UHFFFAOYSA-N 472.523 1.853 50 10 JDGE O=C(NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-])c1ccc(Br)cc1 40657913 RMUORFKSMOEMDK-UHFFFAOYSA-N 466.296 1.648 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc(OC)cc3)c2[N+](=O)[O-])cc1 40658851 NIDQHLXHQHCITB-UHFFFAOYSA-N 453.415 1.916 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c1-c1cccc([N+](=O)[O-])c1 254632714 MWXWMLZZWITHLR-UHFFFAOYSA-N 464.358 1.480 50 10 JDGE CC1=N[C@@]2(C(C)=NNC(N)=O)[C@H](C[C@@H]3[C@H]4CCC5=CC(=NNC(N)=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]32C)O1 1083142894 PAELSKDZRPCXOH-YYHWFKGVSA-N 497.600 1.930 50 10 JDGE CC(C)(C)OC(=O)N1CCOCC12CCN(S(=O)(=O)CI)CC2 1983327440 MOWCKSATMTXFCC-UHFFFAOYSA-N 460.334 1.811 50 10 JDGE OB(O)c1c(I)cc(I)cc1I 2060203858 NBIGYDOKFKLJPP-UHFFFAOYSA-N 499.620 1.180 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccccc2B(O)O)CCN(Cc2ccccc2)C1 2268633681 UHPXFRVRYRLJFQ-DEOSSOPVSA-N 453.348 1.152 50 10 JDGE Cc1cccc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1B(O)O 2282284164 GAIITQKQHPKICJ-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2ccc(S(=O)(=O)O)cc2)c1 216946333 WZEQYMILMKPBRS-QBFSEMIESA-N 459.436 1.965 50 10 JDGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 1084282666 WGSSMKMVIHXFRB-UHFFFAOYSA-N 498.355 1.917 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ccc(F)c(F)c3)ccc2F)CC1 1472211684 ZHHKYGYWCGQRHR-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@H]2COC[C@H]21 2162598895 CRRVWUMVBHNCSG-AEGPPILISA-N 468.414 1.705 50 10 JDGE COc1cc(B(O)O)ccc1C(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2266940071 CKQUXSPJBAIOHX-UHFFFAOYSA-N 456.304 1.568 50 10 JDGE COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(I)o2)cc(OC)c1OC 1952554 QNWOWWQPJGYDIY-DNTJNYDQSA-N 487.250 1.790 50 10 JDGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572233 ZGGYPEJIWGKFAA-UHFFFAOYSA-N 483.300 1.837 50 10 JDGE O=C(COc1ccccc1)NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] 40659494 IAITXEGUJTVAAQ-UHFFFAOYSA-N 450.459 1.629 50 10 JDGE COc1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1O 59820572 JAFNRLXOPYAKEK-AWQFTUOYSA-N 486.470 1.426 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCN(CC3CC3)CC2)cc1 920853974 ICANGSLUOJEABZ-XSFVSMFZSA-N 462.554 1.895 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cccc(F)c1I 2121328936 GPLDPUALFBUCOD-VXNVDRBHSA-N 462.078 1.721 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2121586597 GDNFQLQNANOUDF-XYPHTWIQSA-N 485.400 1.980 50 10 JDGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CB(O)O)C(=O)O 2248871384 HQYAWIQAOXHIIY-NHCUHLMSSA-N 468.315 1.982 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](OC2CCN(S(C)(=O)=O)CC2)[C@H](I)C1 2249187376 HOGQIURRTLRDBY-OLZOCXBDSA-N 474.361 1.850 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1nc(B(O)O)ccc1Cl)Cc1ccccc1 2256654370 PVJWENYYSRGQIF-UHFFFAOYSA-N 462.743 1.380 50 10 JDGE COc1ccc(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1 2284144344 WXHHDUYUXMPKIF-UHFFFAOYSA-N 470.331 1.767 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(CCOCCI)C2 2326653027 DKVXFJVPBPAJIJ-QGZVFWFLSA-N 470.348 1.776 50 10 JDGE O=C(Cc1ccccc1I)NCCS(=O)(=O)CCBr 2335764625 UZWPDHIGIWJSAX-UHFFFAOYSA-N 460.131 1.760 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN2C[C@@H](Br)C[C@H]2C1 703959475 ZPJKZLXPHIXNJM-GJZGRUSLSA-N 484.416 1.792 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)Cc1ccsc1B(O)O)OCc1ccccc1 2247895167 PIWNYVUMSBHPNI-UHFFFAOYSA-N 470.378 1.216 50 10 JDGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256679268 VMOZXDPXDUTKCN-GOEBONIOSA-N 463.365 1.500 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(B(O)O)ccc2Cl)C1 2281699754 YGWYCFOICLVVGM-LJQANCHMSA-N 487.793 1.871 50 10 JDGE Cc1ccc(NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(F)c1B(O)O 2352962620 VVRNASYAGMSYFT-UHFFFAOYSA-N 459.327 1.779 50 10 JDGE CP(C)(=O)[C@H]1C[C@@H](N=C=O)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2370156677 PDKAVHKCWUQOIP-CABCVRRESA-N 453.457 1.404 50 10 JDGE Cn1c(=O)c2c(ncn2CCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)n(C)c1=O 16232827 FIDQUGFKTHINBN-UHFFFAOYSA-N 494.483 1.003 50 10 JDGE CCN(CC)Cc1c(C(=O)NN=C2c3ccccc3C(=O)c3ccccc32)nnn1-c1nonc1N 20076049 PVKMLQFXSKSSCJ-UHFFFAOYSA-N 485.508 1.801 50 10 JDGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(-c2ccccc2)n1 920430773 APTOSWWTZQHNIM-QDUHJBTASA-N 478.578 1.702 50 10 JDGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCC(=O)NNC(=O)C2CCC2)n[nH]1 1084130638 JZWBDLHIWZRVTD-UHFFFAOYSA-N 496.601 1.850 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)(C)C)C4=O)cnc2s1 1865844881 BUPFZXZNBNZGND-UHFFFAOYSA-N 481.534 1.876 50 10 JDGE O=C(CCCS(=O)(=O)c1ccccc1)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865852413 VNCHUDBDBAMOCV-UHFFFAOYSA-N 488.591 1.738 50 10 JDGE CN1C[C@@H](Br)[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1942697324 YSLGUIUTCKZMRA-HUUCEWRRSA-N 458.378 1.306 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@H]21 2040599571 YKUJKZOCLMJNCO-OWCLPIDISA-N 471.373 1.733 50 10 JDGE O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(Br)cc2F)[C@@H](Br)C1 2177842070 ABRVNZWCLOQOCO-CBAPKCEASA-N 451.133 1.427 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Br)c1Br 2177842118 AIWDNJDAPVKABM-JGVFFNPUSA-N 467.226 1.966 50 10 JDGE COc1ccc(B(O)O)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2267624579 ATSVQPWMFNGKDO-UHFFFAOYSA-N 468.384 1.698 50 10 JDGE COc1ccc(C=NNC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1 254516049 RBBMGWVBFYSYCV-UHFFFAOYSA-N 474.539 1.368 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3cc(OC)c(O)c(OC)c3)nnn2-c2nonc2N)c1 254741229 JRQHLNUWIIYREO-UHFFFAOYSA-N 480.441 1.395 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=S)N[C@H](C)C3CC3)CC2)cc1 1640426758 VFVBTTYKSGPQAM-CYBMUJFWSA-N 452.602 1.584 50 10 JDGE O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771411 VNQVYVHIFBDMEP-UHFFFAOYSA-N 479.518 1.171 50 10 JDGE O=C(NOCCCNC(=O)c1cnsc1B(O)O)OCC1c2ccccc2-c2ccccc21 1900451811 OUWUWSOGFLYDTJ-UHFFFAOYSA-N 467.312 1.413 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2C(CBr)[C@H]2C1 2000543539 NEXGBWFHKWUTON-RKVPGOIHSA-N 459.337 1.913 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C1 2044689596 UOQGRAWJTISOHG-OIRASMEMSA-N 460.416 1.856 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B(O)O)c1 2140552207 XVISUZOZYUFWHW-LAUBAEHRSA-N 456.348 1.524 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCCc1cccc(B(O)O)c1 2140554286 FZUVNFDFXFNDBQ-OAQYLSRUSA-N 456.348 1.525 50 10 JDGE C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(CBr)oc1Br 2179775040 JETLLXGSMIEJCO-SSDOTTSWSA-N 451.158 1.745 50 10 JDGE Cc1c(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)ccc(B(O)O)c1Cl 2202939203 ZVMMOVVMDYUGPM-UHFFFAOYSA-N 450.709 1.146 50 10 JDGE CC1(C[S@](C)(=O)=Nc2ncc(Br)cc2B(O)O)CN(C(=O)OC(C)(C)C)C1 2240341227 JVFCPYRPKMGPMF-MHZLTWQESA-N 462.175 1.510 50 10 JDGE COc1ccc(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2282319525 VDWHZQIVPRBKII-UHFFFAOYSA-N 479.339 1.220 50 10 JDGE COc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)ccc1B(O)O 2282386502 PPBLAKAVAYMBMX-UHFFFAOYSA-N 479.339 1.220 50 10 JDGE COC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H](c2cccc(OC)c2)C(C#N)=C1N 1053068 UBYOGLLSXWHRJE-MNGMOJQWSA-N 475.526 1.419 50 10 JDGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630318 BEZSRVPEWGEQFQ-PSKZRQQASA-N 457.468 1.272 50 10 JDGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccccc3Br)c2N)CC1 40785043 RSCOGMBKIYPNSP-UHFFFAOYSA-N 464.324 1.857 50 10 JDGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58987775 TUNQRRYNBCCVRQ-AWQFTUOYSA-N 472.443 1.726 50 10 JDGE O=C(CSc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1)NNC(=O)C1CCC1 59879542 NFVPKHPOBPPNKL-CNHKJKLMSA-N 468.337 1.758 50 10 JDGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1860770671 RDANXKLMGFYKMU-UHFFFAOYSA-N 463.497 1.255 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 2053614492 VRWVTPMGSHWLCK-UHFFFAOYSA-N 451.501 1.165 50 10 JDGE C[C@@H](NC(=O)OC(C)(C)C)c1nnc(COc2ncc(Br)cc2B(O)O)s1 2240322544 KADAWGUNHPYQEM-MRVPVSSYSA-N 459.131 1.540 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B(O)O)c1 2256624138 UURYNIBDZZSRJM-BEFAXECRSA-N 462.377 1.885 50 10 JDGE Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c1B(O)O 2266958186 WAPXGXQKCXAEMV-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE COc1ccc(Br)cc1S(=O)(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728856583 WGGHZEIMWNEHSI-UHFFFAOYSA-N 470.349 1.474 50 10 JDGE COc1ccc(C(=O)NNC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)c(OC)c1 731362686 JSDSRTAAFQCAMO-UHFFFAOYSA-N 481.553 1.655 50 10 JDGE COC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](Br)[C@@H](OC)N1C(=O)OC(C)(C)C 1531865228 CRKMKFBLFUROCW-XJIUQZFPSA-N 479.368 1.912 50 10 JDGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cn(C)cc(Br)c2=O)cc1 1562603105 REPMFCATZASHAR-NSHDSACASA-N 451.277 1.971 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B(O)O)ccc1Cl 2255743164 WLCVPNGLXZFORY-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(B(O)O)cs2)C1 2255764253 YZTPDINHXAUEKB-SFHVURJKSA-N 459.377 1.279 50 10 JDGE Cc1c(B(O)O)cccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2281740668 TXFGUYHCIJCSQW-FQEVSTJZSA-N 467.375 1.526 50 10 JDGE C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2288470505 BOEINSSPDUWLQD-ZDUSSCGKSA-N 468.414 1.801 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(F)(F)[C@@H](CBr)C1 707478475 XLEKNQBOCIYNQK-NSHDSACASA-N 451.289 1.965 50 10 JDGE CC(=O)N[C@@H](C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1)c1cccc(Br)c1 1558459270 RTXBZNSELXMPNB-IAGOWNOFSA-N 453.337 1.027 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ncccc2B(O)O)C1 2124520004 PUHARDAOAQITIW-HSZRJFAPSA-N 455.320 1.544 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1nc(B(O)O)ccc1Cl 2256670650 HKCGPCRAEPEPBF-OAHLLOKOSA-N 463.727 1.854 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ccc(B(O)O)c(F)c2)C1 2267306876 OIDONPIYTWKKBG-UHFFFAOYSA-N 458.295 1.130 50 10 JDGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1)NC[C@@H]1CCCO1 1084382342 CJGBFZVVLROBFV-QFIPXVFZSA-N 466.538 1.560 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)CI)CC1 2056597057 FCDQEFYRVNAKCR-LBPRGKRZSA-N 487.360 1.252 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(Br)CC2)[C@@H]2CS(=O)(=O)C[C@H]21 2163052038 YYNWPVAUEXOADW-ZIAGYGMSSA-N 466.398 1.684 50 10 JDGE Cc1cc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2256624515 WQDNXBJSTMMEHJ-SFHVURJKSA-N 461.393 1.378 50 10 JDGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)c1 10277096 SMPBCONVJQKUJP-UHFFFAOYSA-N 489.550 1.993 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2)CC1 15092737 VTTUSEABNYGDAN-UHFFFAOYSA-N 483.550 1.106 50 10 JDGE COC(=O)c1cc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)c(C(=O)OC)s1 1115950166 CCFIVJJYPWFUOP-UHFFFAOYSA-N 477.314 1.707 50 10 JDGE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c(B(O)O)s1 2255691941 RDLHYNCOQKLJLS-UHFFFAOYSA-N 469.369 1.581 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 254513399 IOLHZMYMCHNHQD-UHFFFAOYSA-N 478.385 1.870 50 10 JDGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 727366384 XFDRYVCGLKZSGI-UHFFFAOYSA-N 486.598 1.705 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2cc(Cl)nc3c2c(C)nn3C)cc1 1587921247 PHRXJPBELBIWFK-UHFFFAOYSA-N 450.908 1.554 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(CBr)C1 1981525275 OOASSMDXERFNEZ-OAHLLOKOSA-N 451.289 1.759 50 10 JDGE COCC[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541110 HPIHLBSGVUVVPW-SJCJKPOMSA-N 465.341 1.730 50 10 JDGE CO[C@@H]1C[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2014104960 PFYRXZGTXZGESL-DAXOMENPSA-N 459.362 1.923 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 2040426522 VVBXTYOPHAANSE-MRXNPFEDSA-N 458.334 1.621 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)CCNC(=O)C=Cc3ccccc3)C2)cc1 2040445084 ZGDNFJOTZBUDLM-OAQYLSRUSA-N 498.605 1.763 50 10 JDGE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1c(Cl)cccc1B(O)O 2282732959 NYLAFUXHJXVHMB-DLBZAZTESA-N 452.725 1.098 50 10 JDGE CC[C@@](C)(Cn1c(C)nc(I)c1I)C(=O)NN 2303438235 HFFGHMKVPZWIPT-JTQLQIEISA-N 462.073 1.807 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(C(=O)OC)c2)cc1 10294290 HOSOPNAZLHUBCH-UHFFFAOYSA-N 459.480 1.364 50 10 JDGE Nn1c(SCCCC(=O)N/N=C/c2cccnc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989731 LGXKLXZIYITBPF-SRZZPIQSSA-N 471.459 1.893 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(N/C=C2/C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)c1 102676065 WCAZTAAHWYIUNC-XMHGGMMESA-N 482.493 1.097 50 10 JDGE CC(=O)Nc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)cc1 254378775 YMXCXNUNKCUUSV-UHFFFAOYSA-N 479.432 1.673 50 10 JDGE CC(=O)O[C@@H]1C=COC=C2C[C@@]34SS[C@@]5(CC6=COC=C[C@H](O)[C@H]6N5C3=O)C(=O)N4[C@H]21 257440728 HXWOWBFXYUFFKS-KQDWJIRRSA-N 462.505 1.138 50 10 JDGE in-man NNC(=O)[C@H](c1ccccc1)n1cnc(I)c1I 385458976 GOYQXPWJYAXZDP-QMMMGPOBSA-N 468.036 1.672 50 10 JDGE CSCC[C@@H](NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 396447656 QQXFDWMHRNYXNR-GOSISDBHSA-N 457.508 1.879 50 10 JDGE O=C(COC(=O)c1cccc(OCc2cscn2)c1)NNC(=O)[C@H]1COc2ccccc2O1 754088849 VQZBOFGNKKILNL-LJQANCHMSA-N 469.475 1.866 50 10 JDGE CC#CCCCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1160439424 YNVLRGJODRMZSF-QGZVFWFLSA-N 451.545 1.294 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=S)Nc2ccc(OC)c(F)c2)s1 1556400125 MDNLIJFTZHAPOE-UHFFFAOYSA-N 458.562 1.920 50 10 JDGE CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)CNC(=O)c3ccccc3Cl)ccc21 1857965347 DZSSIPBEOOEWKH-UHFFFAOYSA-N 464.931 1.379 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2256622982 OFDCDGDUNGFUNA-QGZVFWFLSA-N 461.393 1.378 50 10 JDGE CN([C@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2282360686 GLFWAJFBYOKMCD-MSOLQXFVSA-N 452.725 1.098 50 10 JDGE Cc1cc(CN(C)C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)sc1B(O)O 2283955325 DPQLMCBHAWMWJW-XMMPIXPASA-N 487.431 1.864 50 10 JDGE CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc21 59153301 IJOSAIBZFCTGEX-FLFQWRMESA-N 453.455 1.709 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)c(OC)c1OC 254393401 IWPNLGOWCPEUGD-ZDUSSCGKSA-N 499.532 1.397 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)s1 1463595966 KTGANQIDQHIAIX-HNNXBMFYSA-N 451.570 1.987 50 10 JDGE C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)NNC(=O)CO)c1 1558958141 NDLGFRNKQOTJQP-UHFFFAOYSA-N 457.430 1.840 50 10 JDGE COc1cc2[nH]c(C(=O)O)c(/C=N/NC(=O)Cn3c(O)nc4ccccc4c3=O)c2cc1OC 1873793778 ILTXRANKYHZUCF-NUGSKGIGSA-N 465.422 1.449 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC12CC(CBr)(CO1)C2 2041604436 ZQTSBJCZUTXMTD-UHFFFAOYSA-N 471.373 1.926 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCOC[C@@H]1CBr 2072950813 IDXOCQXOLMIHMF-QITLCBANSA-N 477.352 1.730 50 10 JDGE COC1(CCNC(=O)OC(C)(C)C)CN(S(=O)(=O)N2CCC(Br)CC2)C1 2106771534 JMIBUCZYDUNIAW-UHFFFAOYSA-N 456.403 1.706 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(Br)cc2B(O)O)C[C@H]1C(F)(F)F 2240341458 MAUWEBYXKNIUQA-MWLCHTKSSA-N 454.052 1.416 50 10 JDGE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1 10736912 FMJOPRUVCJRCTJ-UHFFFAOYSA-N 459.528 1.645 50 10 JDGE COCC(=O)NNC(=O)CSc1nnc(NN=C(Cc2ccccc2)Cc2ccccc2)n1N 20919293 DFCWOHTZPSVMEN-UHFFFAOYSA-N 482.570 1.131 50 10 JDGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 40812148 QZZBIBNSHYYAPK-HAVVHWLPSA-N 454.487 1.859 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccc(F)c1)C=2C(=O)Nc1ccc(C)cc1 199503385 VFPSUOZMWBZXBA-BUDOKORBSA-N 490.516 1.549 50 10 JDGE Cc1cc(/C=C(\C#N)C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 920289780 BSDHWFOFGILZTH-BUDOKORBSA-N 472.542 1.902 50 10 JDGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccccn2)cc1 1084582740 NWWMMLIWTWKBKJ-UHFFFAOYSA-N 461.478 1.874 50 10 JDGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNS(=O)(=O)c1cccc(Cl)c1 1860770534 MLJWRYDYUIDTIH-UHFFFAOYSA-N 452.945 2.000 50 10 JDGE CN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2029233233 QKZSCLLYNPMLMB-OAHLLOKOSA-N 472.405 1.794 50 10 JDGE Cn1cc(Br)c(S(=O)(=O)NCCOCCCI)n1 2058146756 UDDYXOQNKNLWRA-UHFFFAOYSA-N 452.112 1.303 50 10 JDGE CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2179915543 ZUVWJQAKMLNIKG-MRVPVSSYSA-N 451.158 1.745 50 10 JDGE Cc1ccc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(B(O)O)c1 2266955437 ODAGBOVQHQECSI-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268677313 SBKKXXQQILFLCV-MRXNPFEDSA-N 476.408 1.369 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N(C)[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c1B(O)O 2282373292 KNCLBGSBUNADKK-HOTGVXAUSA-N 452.363 1.123 50 10 JDGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502288 VVZPEEBOGDVOTF-UHFFFAOYSA-N 498.271 1.980 50 10 JDGE CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1468945829 GFDBSHODRDVCQC-UHFFFAOYSA-N 454.531 1.119 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)[C@H]2C1 1564879061 SZDMYNVXXXLGKV-SNRMKQJTSA-N 454.531 1.568 50 10 JDGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c1 1860771195 MPLCLNXXXHBOBS-UHFFFAOYSA-N 457.468 1.715 50 10 JDGE OB(O)c1c(I)cc(OC(F)(F)F)cc1I 2060037245 ZPNIPFNQYGABES-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE OB(O)c1ccc(Nc2cc(I)cc(I)c2)nc1 2223626035 GMUFMPHPXIFGRQ-UHFFFAOYSA-N 465.825 1.714 50 10 JDGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc(Br)c1O 2323164350 UCPGKZGVUKYSHE-SSDOTTSWSA-N 458.294 1.781 50 10 JDGE COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c1OC 1957085 PARSWVJACCFZAW-LSHDLFTRSA-N 479.413 1.589 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OC)c1 254293466 WFBHUSZOCLORBA-NRFANRHFSA-N 489.553 1.918 50 10 JDGE O=C(NN=Cc1cnn(-c2ccccc2)c1)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 254304308 XTRGPMNCVYAZBY-AZUAARDMSA-N 473.942 1.800 50 10 JDGE NNC(=O)COCCOc1c(I)cc(Cl)cc1I 2028847300 JKUDXYXSPGDPKN-UHFFFAOYSA-N 496.470 1.935 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)CCCO1 2073633988 UYKDZUVVBDONOG-QZTJIDSGSA-N 477.352 1.874 50 10 JDGE O=C(NCCNS(=O)(=O)c1ccc(B(O)O)cc1)OCC1c2ccccc2-c2ccccc21 2243432824 DZJBCLXAOXLYKV-UHFFFAOYSA-N 466.324 1.183 50 10 JDGE Cc1cc(S(=O)(=O)N[C@@]2(C)CCCN(C(=O)OCc3ccccc3)C2)sc1B(O)O 2282738241 RSCIRJURGYDVCN-IBGZPJMESA-N 452.363 1.206 50 10 JDGE COC(=O)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2320337438 MVLSHBCPGMZBIP-OAHLLOKOSA-N 475.361 1.699 50 10 JDGE COc1ccc(NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1B(O)O 2339734036 OWGSLYKJFFAWTB-UHFFFAOYSA-N 457.336 1.340 50 10 JDGE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)/C(C#N)=C(\C)N 9492817 JVROJKNPXXILOT-NRMKIYEFSA-N 454.892 1.968 50 10 JDGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cc(=O)c4ccccc4o3)cc2)C[C@H](C)O1 27528275 NURKWLOTXJQIEC-GJZGRUSLSA-N 485.518 1.666 50 10 JDGE NNC(=O)Cc1ccc(Cn2cnc(I)c2I)cc1 311372386 JKOJBRYXPYROKD-UHFFFAOYSA-N 482.063 1.673 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(C1)OCCC[C@@H]2Br 1997314911 TZHOQCRYXVIAQJ-HNNXBMFYSA-N 457.346 1.631 50 10 JDGE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1S(=O)(=O)CCC(CCl)CCl 2106771398 IKSWZXREQKBGCX-UHFFFAOYSA-N 453.410 1.683 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268718219 PLPOSAYQTAYQBH-HSZRJFAPSA-N 473.404 1.556 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CC2CN(CCOCCI)C2)CC1 2306796245 IJORXASVCQSEOP-UHFFFAOYSA-N 453.365 1.923 50 10 JDGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])CC1 40658090 IBGKYIPQOSGMEJ-UHFFFAOYSA-N 460.407 1.328 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)ccc1O 254532544 YHBPDVKZCDKCHD-UHFFFAOYSA-N 469.506 1.475 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(Br)CC2)[C@H](S(C)(=O)=O)C1 1877658146 GRRQOJSWVDFCGB-CHWSQXEVSA-N 454.387 1.588 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CI)C[C@]12CCCOC2 1983330994 UMIIQUQEXJEOCJ-RISCZKNCSA-N 460.334 1.857 50 10 JDGE C=C[C@]1(CBr)COCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2022254157 QOKOIXPAVGWYLJ-SFHVURJKSA-N 457.346 1.654 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)C2(CCOCC2)C1 2054051255 WCFHYKFSSWIBQE-INIZCTEOSA-N 471.373 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCCCI)[C@H]2CS(=O)(=O)C[C@H]21 2243586803 VYIOCPQOKKVQCD-QWHCGFSZSA-N 458.362 1.920 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2cncc(B(O)O)c2)CCN(Cc2ccccc2)CC1 2281766169 PZAQZTBXHLYQHO-UHFFFAOYSA-N 468.363 1.051 50 10 JDGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1 12572239 FTYFOHUNIIPDEC-UHFFFAOYSA-N 468.329 1.937 50 10 JDGE O=C1N=c2ccc([N+](=O)[O-])cc2=C1NNC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccccc1 206938038 HPSPRYPQASYRTJ-HSNUIXJGSA-N 481.468 1.511 50 10 JDGE O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NN=Cc1cccc([N+](=O)[O-])c1 254394127 CMMSHJDXKXCSMB-UHFFFAOYSA-N 459.484 1.259 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 1873777658 NXLWDYSYLJWFTL-ZDUSSCGKSA-N 486.326 1.822 50 10 JDGE CC1(C)OC[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1Br 2022063710 PQDPJBCVTWKYMI-GJZGRUSLSA-N 459.362 1.923 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(B(O)O)c1)Cc1ccccc1 2255943362 RTSIYEIAJOVFTF-UHFFFAOYSA-N 456.348 1.828 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccnc(B(O)O)c2)CCN(Cc2ccccc2)CC1 2268635928 XIDNQZPNIOIQIQ-UHFFFAOYSA-N 454.336 1.259 50 10 JDGE Cc1cc(CNC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)sc1B(O)O 2283952886 MWMDSLHPIKBCCX-UHFFFAOYSA-N 487.431 1.912 50 10 JDGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 33688826 IUPNHUWQAIQYOP-IRVMHKCDSA-N 480.502 1.706 50 10 JDGE CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c2ccccc21 39919026 SKZBZTFUVVFYFI-VWLOTQADSA-N 477.521 1.000 50 10 JDGE O=C(NNC(=O)C1CCC(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1[N+](=O)[O-] 100103664 LBIZECDUANMGRJ-UHFFFAOYSA-N 498.452 1.532 50 10 JDGE CC(=O)N1Cc2ccc(NC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)cc2C1 1201414759 MEUFAODBCQTLTE-UHFFFAOYSA-N 450.543 1.914 50 10 JDGE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1636883263 NZFGPAOCQVYQPD-APWZRJJASA-N 450.561 1.786 50 10 JDGE C[C@@H](C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3)N1C(=O)c2ccccc2C1=O 1860769764 HEQVKRWMMOPJSS-OLZOCXBDSA-N 493.545 1.415 50 10 JDGE O=C(NOCCCNC(=O)c1ncsc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243408059 GDFPIHWDQULXJS-UHFFFAOYSA-N 467.312 1.413 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2268640578 IAUJRRDMRMOERY-HNNXBMFYSA-N 477.710 1.380 50 10 JDGE NNC(=O)c1cccnc1Cn1cnc(I)c1I 381022972 YIGLXUDDDFJRKW-UHFFFAOYSA-N 469.024 1.139 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@]3(C)C[C@@H]3Br)cc2)CC1 1618622865 PBAGMMKPPMIUQD-WMZOPIPTSA-N 458.378 1.443 50 10 JDGE Cc1ccc(B(O)O)cc1NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268631975 FHKPHYJMUDJUNC-DEOSSOPVSA-N 453.348 1.783 50 10 JDGE Cc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1 2287639928 WMLJBLUTTQACNY-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCOCCI)[C@@H]2CS(=O)(=O)C[C@@H]21 2306797938 ALGSYTZOIMOKCZ-OLZOCXBDSA-N 474.361 1.156 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cnn(CC)c1 59261790 ODHSFBQBSPFWDR-UFFVCSGVSA-N 450.532 1.716 50 10 JDGE CCC(=O)N1CCCN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)CC1 920853777 FPARLBTZBHMXNZ-CYVLTUHYSA-N 478.553 1.812 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cnnc4ccccc34)c2)CC1 1638342366 BELFFYSPSMZKDC-UHFFFAOYSA-N 454.512 1.240 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)C1 1872962886 YAXIWQUMCOBTTO-HOTGVXAUSA-N 452.471 1.725 50 10 JDGE CN([C@@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)N1CCC(Br)CC1 2106776904 NBNQKDDEVDMHQH-MRXNPFEDSA-N 456.403 1.706 50 10 JDGE NNC(=O)C1CCC(F)(Cn2cnc(I)c2I)CC1 2122078081 BNQNUTLCKDOXBC-UHFFFAOYSA-N 492.074 1.981 50 10 JDGE Cn1nc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1Cl 2243364794 CFPPKQTZYRXHJD-UHFFFAOYSA-N 468.706 1.022 50 10 JDGE Cc1sc(B(O)O)cc1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2255763925 SUUSIPYAGXGUQS-UHFFFAOYSA-N 460.361 1.361 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccsc2B(O)O)C1 2259429308 OCUBRRKWPIOGJG-UHFFFAOYSA-N 469.369 1.014 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCc2sc(B(O)O)cc2C1 2283947211 XNDLLRMYJAYKTH-KRWDZBQOSA-N 488.371 1.339 50 10 JDGE CC1=CC(=O)C(=C(C)NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)O1 2297118163 WMZSKTGMMRHYEM-UHFFFAOYSA-N 467.931 1.665 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)Nc1ccc(C=O)c(B(O)O)c1 2339543275 OPINODRUTIHGOP-UHFFFAOYSA-N 465.356 1.789 50 10 JDGE N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 33932084 VQXXLCRMLNJLNR-KAMYIIQDSA-N 472.504 1.787 50 10 JDGE CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc1Br 169890811 IVYLDTMYZFDPQQ-NKXMEUTISA-N 456.322 1.639 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1cccc2ncccc12)c1ccc(S(C)(=O)=O)cc1 1144839969 BVNYGBJLDYKGLT-QFIPXVFZSA-N 454.508 1.451 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)Cc2ccccc2O)cc1 1642449315 YAJCBXVVBJNEII-IBGZPJMESA-N 459.524 1.528 50 10 JDGE CN1C[C@H](Br)[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1942697325 YSLGUIUTCKZMRA-LSDHHAIUSA-N 458.378 1.306 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]2(C[C@@H](Br)CO2)C1 2137124747 FDBOFVSOBPWYFY-VMDGZTHMSA-N 489.363 1.969 50 10 JDGE O=C(CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2195884087 VYPXNKHJRRIQEE-FGTMMUONSA-N 457.980 1.145 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cccc(B(O)O)c2Cl)C1 2282301051 CFOPHCBFDDEKEG-SFHVURJKSA-N 487.793 1.871 50 10 JDGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 27469844 MRNMFLCGHGAEJS-ZPGFKHOISA-N 484.425 1.757 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccc2ccccc2n1)c1ccc(S(C)(=O)=O)cc1 1463637592 XWSCSZUQOBCXJV-JOCHJYFZSA-N 454.508 1.451 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)c2c1C 1865852503 ZFULYXHNHWRZJP-AWEZNQCLSA-N 463.560 1.869 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 1873777332 FONLIIRSAYXFRL-OAHLLOKOSA-N 480.481 1.748 50 10 JDGE O=C(Cl)/C=C/C(=O)Nc1c(I)ncnc1I 1991706276 NZGDFZSFPHMNFR-OWOJBTEDSA-N 463.400 1.946 50 10 JDGE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(B(O)O)c1 2268654808 DTVQOLISNJMRCN-YWZLYKJASA-N 458.320 1.812 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCc1cc(B(O)O)ccc1F 2268680337 UPLDZJSVDAURHI-IBGZPJMESA-N 460.311 1.622 50 10 JDGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNC(=O)c3ccc(C)o3)cc2)CC1 1221722530 ZPHFXQVZRXIMHH-UHFFFAOYSA-N 457.531 1.318 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)c1 1558201579 AYHPQOXZUWZETO-KRWDZBQOSA-N 459.572 1.749 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@@H]21 1996521293 LDBPBPRPURFWDT-PMPSAXMXSA-N 457.346 1.487 50 10 JDGE CCN(CC)S(=O)(=O)c1cccc(N2C(=O)C(=CNNC(C)=O)c3ccccc3C2=O)c1 2040442549 XCAAZDCSACBLEB-UHFFFAOYSA-N 456.524 1.886 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cc(I)ccc1F 2121333270 KTCDLAHVLDMDAC-PSASIEDQSA-N 462.078 1.721 50 10 JDGE C[C@@H]1CN(S(=O)(=O)c2cc(CBr)oc2Br)CCS1(=O)=O 2179778619 FGUZEPGSCGKTQA-SSDOTTSWSA-N 451.158 1.745 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc21 2268649128 AYBGEYPKMGIOSS-HXUWFJFHSA-N 453.348 1.281 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B(O)O)c2C1 2336502327 WADMAWCNHSCITN-IBGZPJMESA-N 473.404 1.338 50 10 JDGE COC[C@@]1(CBr)C=CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2351733484 YKUWBBRMYMYTEF-OALUTQOASA-N 489.363 1.993 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)CC2)cc1 748284133 KROPTWIWUSSGQM-NRFANRHFSA-N 471.535 1.441 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)cc2)cc1 1627447201 AYHPVQYNQQHUQJ-MGPUTAFESA-N 459.524 1.554 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)[C@@]2(CCCOC2)C1 1983328053 SVHZKXAQUZGXSQ-RISCZKNCSA-N 460.334 1.857 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(S(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2185532743 JHXHHSRIYVBODT-GJZGRUSLSA-N 468.414 1.801 50 10 JDGE Cc1cc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c(B(O)O)s1 2272033170 HXYJJJIASDSMDK-UHFFFAOYSA-N 483.396 1.323 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2313860689 JGJNOWPDKCJQGE-UHFFFAOYSA-N 472.479 1.886 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)s1 2284055727 YIWQOIDOLPQAKE-DEOSSOPVSA-N 487.431 1.864 50 10 JDGE O=C(COc1ccccc1)NCC(=O)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 27519899 CHJUPQXWQMDBIH-XLVZBRSZSA-N 486.484 1.978 50 10 JDGE COc1ccc(/C=N/NC(=O)c2nonc2C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 59503397 STANJKSAULDBCT-ASIDMNOUSA-N 482.453 1.632 50 10 JDGE Cc1ccc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2ccc(C)cc2C)c(C)c1 100096404 UHVDCEQQRYGKHV-UHFFFAOYSA-N 484.553 1.843 50 10 JDGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3CCOCC3)c3ccccc32)cc1 254391244 PGKWWUMRLXITLQ-UHFFFAOYSA-N 451.483 1.203 50 10 JDGE C#C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@H]1CCCO1 1234625161 CORHHIKSCMIZHK-VQTJNVASSA-N 456.524 1.290 50 10 JDGE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)CI)C1 1884474957 WUAKOKTVUFUDNX-GSDQLPOLSA-N 452.336 1.721 50 10 JDGE O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)COc1ccc([N+](=O)[O-])cc1 12572600 AHVUXNKJMBQGEL-UHFFFAOYSA-N 483.300 1.837 50 10 JDGE COCCNC(=O)CSc1nnc(N2CCN(C(=O)CCCBr)CC2)s1 49370283 HIQIQZIRRPPOIF-UHFFFAOYSA-N 466.427 1.217 50 10 JDGE C=C(C)CN1CCC(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1468640998 WUKVYJNIHMRWKT-UHFFFAOYSA-N 451.593 1.702 50 10 JDGE COc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1OC 1860770628 QDPXFUCCTKUKEN-UHFFFAOYSA-N 452.514 1.102 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCOC[C@H]1Br 1942090941 ZXFYWVRJEADWNJ-CVEARBPZSA-N 459.362 1.925 50 10 JDGE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106771261 GVYOCFAVYOWDSG-AWEZNQCLSA-N 456.403 1.658 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ncccc2B(O)O)CCN(Cc2ccccc2)CC1 2180991983 USRWLMLRUPPEAB-UHFFFAOYSA-N 468.363 1.650 50 10 JDGE COc1cc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)ccc1B(O)O 2289577690 WFPCGNHCRSXTES-UHFFFAOYSA-N 471.363 1.018 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2scc(B(O)O)c2C1 2314911604 IFLFFGXVHSUVCB-GOSISDBHSA-N 460.361 1.423 50 10 JDGE COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OC 10736697 OVPSLSCEEKRDBY-UHFFFAOYSA-N 460.512 1.325 50 10 JDGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 14021915 BLGMUBICPVDUQO-UHFFFAOYSA-N 460.468 1.876 50 10 JDGE NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc(Br)cc1 1333074114 RNAVFGXJTPAQNM-AWEZNQCLSA-N 467.707 1.538 50 10 JDGE Cc1nc(I)c(I)n1Cc1ccc(C(=O)NN)o1 2028585621 ISHMMOFJPXVNJL-UHFFFAOYSA-N 472.024 1.646 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B(O)O 2268635201 OQVFHLDTZRTEGB-DYESRHJHSA-N 456.348 1.823 50 10 JDGE Cc1cc(B(O)O)ccc1NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268710529 IRQULLNAMRHHNS-DEOSSOPVSA-N 453.348 1.783 50 10 JDGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)(CNS(=O)(=O)CI)C2 1988050608 DXIXNGDAQJNKAA-YABSGUDNSA-N 460.334 1.591 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268707817 VMDFPQZPXOQLCP-GOSISDBHSA-N 458.320 1.814 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1Cc2ccc(B(O)O)cc2C1 2268722951 LDNJYKGRMZVHHH-OAQYLSRUSA-N 454.332 1.709 50 10 JDGE Cc1sc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(B(O)O)c1C 2284054362 BJEQXHJOJZXAMV-DEOSSOPVSA-N 487.431 1.830 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(CCOCCI)CCN2C1=O 2306803264 WWSUTGVMDVXVFA-OLZOCXBDSA-N 453.321 1.248 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2358559888 ZTNZJIZPJNZFGV-ZNMIVQPWSA-N 465.366 1.201 50 10 JDGE COc1ccc(C(=O)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1I 12574063 RYYBKRJWIXYBRJ-UHFFFAOYSA-N 489.291 1.882 50 10 JDGE COCCN(/C=C(/C#N)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 244237854 WFGBIHSGFJVKRS-QAPCUYQASA-N 451.545 1.424 50 10 JDGE O=C(COc1ccccc1C(=O)NN=Cc1ccc(O)c(O)c1)NN=Cc1ccc(O)c(O)c1 254525980 JWOZYIUEZDYFNK-UHFFFAOYSA-N 464.434 1.802 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1COC[C@@H]1Br 1948499849 AIXLVSFQOJCAQP-BBRMVZONSA-N 459.362 1.782 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(I)c(O)c1 2121337245 LQMDUFVTMPFGEM-IONNQARKSA-N 460.087 1.287 50 10 JDGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179815423 LTJNFULWCYXUBK-DLBZAZTESA-N 455.378 1.887 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B(O)O)ccc1Cl 2256623502 QWDMFTBKVVBDNS-MRXNPFEDSA-N 462.743 1.379 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)c(B(O)O)c1 2267359611 OFKMWALMXOAJRM-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE CCN1C(=O)/C(=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 9041971 CHXSOWOHBXCTIK-QUKVDXNLSA-N 450.524 1.865 50 10 JDGE O=C(CCC(=O)Nc1ccccc1)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502252 DEXHPTPIWCQMMX-UHFFFAOYSA-N 460.428 1.557 50 10 JDGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccco3)c(N3CCC(C(N)=O)CC3)nc12 33738364 VGNRQGSUVJYKSW-ATVHPVEESA-N 460.494 1.521 50 10 JDGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-] 40659471 HSDBSCZLILOUHD-UHFFFAOYSA-N 453.415 1.429 50 10 JDGE CCOc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCC)cc2)C=3C(N)=O)cc1 254844932 QPGNVRAYTALTGB-NRFANRHFSA-N 488.569 1.620 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3ccccc3C)CC2)cc1 1532875372 CMYUHPNRKXWZTO-UHFFFAOYSA-N 457.552 1.988 50 10 JDGE COC[C@]1(CNS(=O)(=O)CI)CCCN(C(=O)OC(C)(C)C)C1 1983326969 HGXQFCXKLJKGSX-AWEZNQCLSA-N 462.350 1.962 50 10 JDGE Cc1nc(I)c(I)n1Cc1cncc(C(=O)NN)c1 2088991295 YXXUNKSHGICWKU-UHFFFAOYSA-N 483.051 1.448 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2csc(B(O)O)c2)C1 2259429674 UBHZGMFCAVJXTE-UHFFFAOYSA-N 469.369 1.014 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)Cc2ccc(B(O)O)cc2)C1 2267388827 DVYIOGBUVRSNOW-UHFFFAOYSA-N 476.360 1.249 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c(Cl)cccc2B(O)O)C1 2281633554 GJGRJZPALKTBIK-SFHVURJKSA-N 487.793 1.871 50 10 JDGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCCCC(=O)O 2325005348 FXKMBZDHIXBOQT-UHFFFAOYSA-N 456.908 1.161 50 10 JDGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629941 BQMBEQZPJRLJIO-ZDUSSCGKSA-N 480.315 1.877 50 10 JDGE COc1ccc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1[N+](=O)[O-] 169891748 CWULDGZIKKXULA-ANQVYJHKSA-N 456.440 1.359 50 10 JDGE NNC(=O)c1ccc(OCCn2cnc(I)c2I)cc1 312506389 LCYCTVCMBLZXAF-UHFFFAOYSA-N 498.062 1.775 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(Cl)cc1B(O)O 704296207 XHUBGQSUXIEFMK-UHFFFAOYSA-N 450.709 1.084 50 10 JDGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 725435004 AHWGBFURJHPIDG-UHFFFAOYSA-N 453.904 1.808 50 10 JDGE C=CC(=O)NCc1ccc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 1632133997 IWXCIDAMMUCSLS-UHFFFAOYSA-N 457.556 1.182 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nccnc3C3CCC3)cc2)CC1 1640354354 LFAPTXUAEIAQSN-UHFFFAOYSA-N 458.544 1.354 50 10 JDGE O=C(NC[C@@H](Nc1ncc(Br)cc1B(O)O)C(F)(F)F)OCc1ccccc1 2223668757 ASCPVXXEBFTGDD-CYBMUJFWSA-N 462.031 1.793 50 10 JDGE Cc1nc(I)c(I)n1CC1(C(=O)NN)CCOCC1 2230914597 HQSSHYCVRQKEKT-UHFFFAOYSA-N 490.083 1.187 50 10 JDGE CCn1cc(B(O)O)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2281744146 SNYXFWVVNDBRLO-FQEVSTJZSA-N 470.379 1.039 50 10 JDGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCN1CCNCC1 2325511699 MXXANJGSACSKCS-UHFFFAOYSA-N 458.610 1.822 50 10 JDGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623409 HEGHKLVFQGBYHH-ZPHJMFTNSA-N 452.536 1.779 50 10 JDGE COc1ccc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC 254300360 UBKKWPWTTNEXKH-UHFFFAOYSA-N 490.582 1.477 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3ccc(O)c(OC)c3)nnn2-c2nonc2N)c1 254398134 LVNVFYPKUYJCGG-UHFFFAOYSA-N 450.415 1.386 50 10 JDGE NNC(=O)[C@@H](Cn1cnc(I)c1I)c1ccccc1 311637474 WUXHDADHZBCPGB-VIFPVBQESA-N 482.063 1.866 50 10 JDGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNS(=O)(=O)c1ccc2nc(O)oc2c1 1860770326 CZCFOPQCUAGXSZ-UHFFFAOYSA-N 475.508 1.193 50 10 JDGE CCOC(=O)c1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1873777744 QSYBMGKHPCRCNI-RBUKOAKNSA-N 479.537 1.993 50 10 JDGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2044261491 XQXYCZFBIHSDJN-QGZVFWFLSA-N 476.393 1.718 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185508412 GDAQLIQFUSXNNG-IRXDYDNUSA-N 455.378 1.969 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(B(O)O)cc2F)C1 2255760558 SEAVFFLSLKPPLQ-UHFFFAOYSA-N 464.324 1.316 50 10 JDGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237700 QHMOCNVMSDVPOF-VXPUYCOJSA-N 483.569 1.888 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2Br)cc1 912787286 AZQRYBMDTWOEJV-UHFFFAOYSA-N 454.302 1.391 50 10 JDGE CC(C)n1cc(C=NNc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2N)cn1 1084610184 XDVNHSDJRRPRJH-UHFFFAOYSA-N 476.954 1.422 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](F)[C@H](Br)C1 1897221539 CMHXGLOTVYUJRA-IOASZLSFSA-N 451.289 1.758 50 10 JDGE C[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256621931 AMVUEOZMXZNOPU-MAUKXSAKSA-N 461.393 1.630 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1B(O)O 2256678199 BUVPPOFNURUARJ-MRXNPFEDSA-N 450.247 1.693 50 10 JDGE C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2268630261 IHFSINSZFXKENZ-KSSFIOAISA-N 476.360 1.632 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(Br)cn2C)cc1 24233229 ICKTTXODYPKELJ-UHFFFAOYSA-N 471.333 1.120 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c1 254500763 IDFLGVXSEHPRGY-UHFFFAOYSA-N 453.507 1.770 50 10 JDGE COC(=O)C(=O)CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1 263626886 AVWWDKKFRUSNCA-UHFFFAOYSA-N 487.534 1.282 50 10 JDGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)COc3ccccc3C#N)CC2)cc1 743362498 FBUDRRKFSHDAGN-UHFFFAOYSA-N 452.515 1.098 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)C(CO)(CO)NC(=O)OC(C)(C)C 1903057463 FYPMMYUCMDDECG-UHFFFAOYSA-N 469.626 1.257 50 10 JDGE O=C(NCCNC(=O)c1cc(B(O)O)cn1C1CC1)OCC1c2ccccc2-c2ccccc21 2247759879 XZQMKHMXPMAUPB-UHFFFAOYSA-N 459.311 1.771 50 10 JDGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623591 WSQDPHFBMPBJJT-LJQANCHMSA-N 484.578 1.786 50 10 JDGE CCOc1cc(/C=N/NC(=O)c2nonc2C(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O 59465444 QGUAGHILAHWMIB-ASIDMNOUSA-N 482.453 1.806 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])c1CN1CCCc2ccccc21 254710068 GBGMHXGAHAJLKT-UHFFFAOYSA-N 488.468 1.857 50 10 JDGE O=S1(=O)CCN(S(=O)(=O)N(Cc2ccccc2)[C@H](CBr)C2CC2)CC1 2045266425 YIWQPWUZMVCWFB-MRXNPFEDSA-N 451.408 1.637 50 10 JDGE Cc1ccc(B(O)O)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2281731324 UBDJVUUPHRNLIO-OAQYLSRUSA-N 467.375 1.526 50 10 JDGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)ccc1O 254412998 OUVIHSXQATZAPJ-UHFFFAOYSA-N 455.479 1.087 50 10 JDGE COc1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cn1cnc([N+](=O)[O-])n1 254758920 NYNYOAGUZSLQFQ-UHFFFAOYSA-N 455.387 1.681 50 10 JDGE C#CCN(CC(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1)C(=O)OC(C)(C)C 1544598541 YSLYHTJOZCTOMA-UHFFFAOYSA-N 452.533 1.021 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c(=O)c23)C1 1860770011 PIQJOCIKNWNLOX-SNVBAGLBSA-N 486.466 1.860 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@]1(C)CBr 2049902616 AOGNKKLTKLURPP-MSOLQXFVSA-N 477.352 1.826 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2106306124 VWNADLGRRRCRGF-ZDUSSCGKSA-N 456.403 1.564 50 10 JDGE CO[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C1 2115830738 GQDALCGDYOOKAQ-ZIAGYGMSSA-N 456.403 1.705 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2ccc(B(O)O)cc2)CCN(Cc2ccccc2)C1 2205503245 QUWGTGOFNHJVCE-RUZDIDTESA-N 467.375 1.195 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B(O)O)ccc1Cl 2256623501 QWDMFTBKVVBDNS-INIZCTEOSA-N 462.743 1.379 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2ccccc2B(O)O)CC1 2281767439 GRABSESQTMULOJ-UHFFFAOYSA-N 477.367 1.296 50 10 JDGE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2289508404 KTRLQFQJWWOLPP-ZFWWWQNUSA-N 470.430 1.952 50 10 JDGE CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc4c(c3)OCCCO4)C2=O)cc1 101429503 VNWFVMKXDZAYPB-QGZVFWFLSA-N 453.451 1.591 50 10 JDGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC 253318917 HEZFBCVOJKGOHH-LQSQMINFSA-N 464.588 1.339 50 10 JDGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 254287274 SNXVBKPEVWMLRK-LBPRGKRZSA-N 454.451 1.279 50 10 JDGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)ccc1O 254491112 GMIXMGKUMYWTDS-UHFFFAOYSA-N 469.506 1.477 50 10 JDGE COc1ccc(OC)c(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 254791029 LLGGLRWPZWNSHJ-UHFFFAOYSA-N 460.556 1.469 50 10 JDGE CN(C)C[C@@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 716778944 MSAMHROIDGEXCH-CYBMUJFWSA-N 460.394 1.553 50 10 JDGE CC(=O)NNC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084375921 YHYNNCLHZUNCRM-UHFFFAOYSA-N 456.536 1.070 50 10 JDGE N#CSc1ccc(NC(=O)COc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 1865837695 AWOMDTLPBBGRAT-OAHLLOKOSA-N 464.459 1.678 50 10 JDGE Cc1ccc(S(=O)(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2247883832 KPMMSWZKIISCBN-UHFFFAOYSA-N 480.351 1.492 50 10 JDGE Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)sc1B(O)O 2255512955 IRMGUYLKOOTELR-UHFFFAOYSA-N 460.361 1.361 50 10 JDGE O=C(CBr)N[C@@H]1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169303440 LLJPZWYDUXHCIX-HFGPCTOTSA-N 463.372 1.836 50 10 JDGE CCOC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)c2ccc(OCC)cc2)c2ccccc21 254301508 PZUDSVGAXAKLIL-UHFFFAOYSA-N 452.467 1.245 50 10 JDGE Cn1ncc(C(=O)N2CCn3c(CBr)nnc3C2)c1I 2171789588 LKUXKBCTKLEOBH-UHFFFAOYSA-N 451.066 1.167 50 10 JDGE COc1ccc(CNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2264092743 GIEYJNYJZSLGOL-INIZCTEOSA-N 474.322 1.918 50 10 JDGE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267624832 FSZYFGWWVUFHJZ-CYBMUJFWSA-N 458.754 1.113 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268653421 MUNNNQDRQQQOAM-FOIQADDNSA-N 458.320 1.812 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(B(O)O)c(Cl)c2)C1 2281685740 AGHUFTYLVLAJCY-LJQANCHMSA-N 487.793 1.871 50 10 JDGE N#CC1=C(N)n2c(sc(=Cc3ccc4c(c3)OCO4)c2=O)=C(C#N)[C@H]1c1ccc2c(c1)OCO2 254736767 MVNCAZXPJWYDBP-NRFANRHFSA-N 470.466 1.319 50 10 JDGE O=C(Cn1cc(Br)c(O)nc1=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 751202778 NLOQGYNYFXMJDX-UHFFFAOYSA-N 491.273 1.891 50 10 JDGE C#CCOc1ccccc1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1669098292 DELWGZNZOSAIQS-UHFFFAOYSA-N 458.540 1.873 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106764118 FULWWKHMCJLCMG-HNNXBMFYSA-N 456.359 1.144 50 10 JDGE O=S1(=O)C[C@H](NS(=O)(=O)Cc2ccsc2Br)[C@@H](Br)C1 2226103870 ZZRZBJIOHBFQMD-YUMQZZPRSA-N 453.199 1.491 50 10 JDGE C[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256621933 AMVUEOZMXZNOPU-YJBOKZPZSA-N 461.393 1.630 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCc2ccc(B(O)O)s2)C1 2256734669 GAYNLCRTHGSWLA-UHFFFAOYSA-N 460.361 1.498 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2OCC[C@@]2(CBr)C1 2264256435 RJZKXRANINWAMJ-VQIMIIECSA-N 471.373 1.878 50 10 JDGE O=C(OCc1ccccc1)N1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2267388286 WJCKVWKCNBXDML-ZDUSSCGKSA-N 458.754 1.161 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(B(O)O)cc1F 2268644327 OWBXUJOYOFPHIM-SFHVURJKSA-N 460.267 1.471 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OC[C@H](CCl)O[C@H]2C1 2279895711 PYSFQOPYEZXKGZ-WBAXXEDZSA-N 456.948 1.490 50 10 JDGE O=C(CCBr)N1CN(C(=O)CCBr)CN(C(=O)CCBr)C1 1688713 UYNTZRFVDTZUQI-UHFFFAOYSA-N 492.006 1.713 50 10 JDGE COCCN(/C=C(/C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 217237353 KKEMLGIRHOFTNY-DNCJFXNASA-N 450.536 1.017 50 10 JDGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] 40659243 LYSJLIVADGNFME-UHFFFAOYSA-N 479.457 1.700 50 10 JDGE O=C(CCOc1ccccc1)NNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 731361463 KDQXZXBXERMIET-UHFFFAOYSA-N 465.554 1.793 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@]1(C)CBr 2049902618 AOGNKKLTKLURPP-ROUUACIJSA-N 477.352 1.826 50 10 JDGE O=C(CI)NCc1ccc(CCCC(=O)ON2C(=O)CCC2=O)cc1 2060423429 VJCQMZXRRNKURX-UHFFFAOYSA-N 458.252 1.668 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1[C@@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 2080886312 IGDJQDQYPHPTHX-KKUMJFAQSA-N 495.664 1.740 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)S(=O)(=O)N1CCC(Br)CC1 2163056008 NHPXHQUIIKOXFZ-OAHLLOKOSA-N 470.430 1.784 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(F)c(F)c2B(O)O)CCN(Cc2ccccc2)C1 2283957873 SVHXMSCRBFUIBJ-QHCPKHFHSA-N 475.301 1.753 50 10 JDGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1OC 1084479120 LBZFNLADTRFNGU-UHFFFAOYSA-N 465.484 1.765 50 10 JDGE CC[C@@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)cc2C1=O 1865851738 HRXCNIULWCHNEP-LLVKDONJSA-N 481.534 1.931 50 10 JDGE CC[C@H](C)N1C(=O)c2ccc(C(=O)NNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)cc2C1=O 1865851739 HRXCNIULWCHNEP-NSHDSACASA-N 481.534 1.931 50 10 JDGE COC(=O)[C@@H](I)CNC(=O)Cc1ccccc1I 2027333845 MLSPYHQVWPKVIQ-JTQLQIEISA-N 473.048 1.927 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1nc(B(O)O)ccc1Cl 2268642349 RFYZMTVWMNPQFN-HNNXBMFYSA-N 477.710 1.380 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc21 2268652015 CXXKTFBXFJQRSE-HRAATJIYSA-N 454.332 1.754 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2ccc(B(O)O)cc2C1 2284055125 OMXZIPFTDGDAMY-JOCHJYFZSA-N 468.359 1.751 50 10 JDGE O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNNC(=O)c1ccccc1 2297057066 JRKCOMZJEQBPER-UHFFFAOYSA-N 476.230 1.693 50 10 JDGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)ccc1O 58987518 RASGGTPNFBOCRD-DNTJNYDQSA-N 488.442 1.432 50 10 JDGE CN(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254287636 DKURBQZZICRQBT-UHFFFAOYSA-N 461.442 1.458 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 254870206 QAOZYLKFEMLZRT-UHFFFAOYSA-N 468.478 1.527 50 10 JDGE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106295039 CLZZNBBHMKDVAZ-AWEZNQCLSA-N 455.419 1.231 50 10 JDGE CC(C)(C)OC(=O)N1CCC(O)(CNS(=O)(=O)N2CCC(Br)CC2)CC1 2106296492 SIYLIISKQZEKAZ-UHFFFAOYSA-N 456.403 1.442 50 10 JDGE COC[C@@]1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2106306081 VPEUSTWBEANFFA-MRXNPFEDSA-N 456.403 1.706 50 10 JDGE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106776645 KEOFXBMCRTVUFG-UONOGXRCSA-N 456.403 1.705 50 10 JDGE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(S(=O)(=O)c2ccc(CBr)cc2)C1 2165754302 IZONNUAGNXTTRH-UHFFFAOYSA-N 462.366 1.677 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H](CCl)[C@H]1OC 2233352836 FQMBKPZCZIHKKM-YKTARERQSA-N 462.927 1.294 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cc(B(O)O)cs1)OCc1ccccc1 2243392009 FAVACINAOKCCJO-UHFFFAOYSA-N 456.351 1.075 50 10 JDGE Cc1cc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)oc1B(O)O 2267365659 SVNIKYJBNVXHHY-UHFFFAOYSA-N 469.344 1.196 50 10 JDGE COc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)cc1B(O)O 2267384874 GOKOXLSAKZLHRZ-UHFFFAOYSA-N 468.384 1.698 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B(O)O 2289667079 YPALMBUOHOGISO-NRFANRHFSA-N 473.354 1.190 50 10 JDGE CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1 15994200 DOVIZHGISHYASN-UHFFFAOYSA-N 453.507 1.771 50 10 JDGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2cccc(OC)c2OC)nnn1-c1nonc1N 20037880 JKLBITFHZRDCJP-FSJBWODESA-N 471.522 1.636 50 10 JDGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1 254483752 RQDLHTJAURYNNN-UHFFFAOYSA-N 478.553 1.508 50 10 JDGE CCn1cnc2c1c(=O)n(CC(=O)NN=Cc1cnn3ccccc13)c(=O)n2Cc1ccccc1 729636692 NOWXFXAQLQKDIB-UHFFFAOYSA-N 470.493 1.226 50 10 JDGE C[C@@H](C(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-])n1cnc2sc3c(c2c1=O)CCCC3 1860770348 DYCRQFJNZPSAKW-NSHDSACASA-N 477.524 1.816 50 10 JDGE C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CNC(=O)c4ccccc4)c(=O)c23)C1 1860772070 QAQCOIHFZTYMCG-ZIAGYGMSSA-N 467.551 1.721 50 10 JDGE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872963075 YWJJXUDYQFHLDO-IRXDYDNUSA-N 467.526 1.834 50 10 JDGE COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 207218163 MGERWPWNHNUKBF-ATVHPVEESA-N 475.457 1.663 50 10 JDGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 729298510 KGVFSPNRHXKJGL-SFHVURJKSA-N 451.508 1.127 50 10 JDGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CB(O)O)C(=O)O 2010397199 KKUBXNNVNVMPKK-SZFUDVHCSA-N 468.315 1.982 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(B(O)O)cc1Cl 2255954127 SYJQKDASJBFEQG-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(B(O)O)cc1F 2282361404 QETLAUQLWAXIPE-UHFFFAOYSA-N 484.358 1.255 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)[C@@H]2COC[C@@H]21 2308993223 HNAHLDWOINPGSN-KRXQYRFLSA-N 475.336 1.435 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(NS(=O)(=O)N3CCC(Br)CC3)CO[C@H]1C2 2334245639 UWFHEWJQBYYUOV-DVOMOZLQSA-N 454.387 1.505 50 10 JDGE N#CCC(=O)NNC=C1C=C(I)C(=O)C(I)=C1 38175530 QFHFJXREAOHOSL-UHFFFAOYSA-N 454.993 1.625 50 10 JDGE N#CCOc1ccc(/C=N/NC(=O)c2nonc2C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1 59465442 DYPFEEGUEHSPKI-BKHCZYBLSA-N 472.421 1.402 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2)cc1OC 254868525 VZEOCJNBLHCELE-UHFFFAOYSA-N 463.458 1.626 50 10 JDGE C#CCN1CCC[C@H](NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C1 1638392983 TVRDKOPDKPKKBY-NRFANRHFSA-N 458.526 1.430 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)CI)OC2(CCC2)C1 1983331434 WTCYYQQAENQISW-LLVKDONJSA-N 460.334 1.857 50 10 JDGE CN([C@@H]1COC[C@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542872 LVOGBXKIYKOSRP-CKEIUWERSA-N 463.325 1.435 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COCC[C@H]1Br 2000546298 ZICXZLDAOPPOPA-KEYYUXOJSA-N 463.325 1.483 50 10 JDGE Cc1nc(I)c(I)n1CCC(F)(F)C(=O)NN 2008867792 RYOQVCKNUDHWIE-UHFFFAOYSA-N 469.999 1.416 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B(O)O)ccc1Cl 2256681660 OLXJOINMCPCIGY-DYVFJYSZSA-N 463.727 1.852 50 10 JDGE Cc1cnc(NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2259377975 HDDDTRUSVWPALQ-UHFFFAOYSA-N 450.345 1.338 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Oc2nccc(B(O)O)c2F)C1 2259421754 GNIRSZNVRYLWFX-UHFFFAOYSA-N 455.292 1.136 50 10 JDGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCCCCCC(=O)O 2324982722 SFJBECNVUNXHDK-UHFFFAOYSA-N 484.962 1.941 50 10 JDGE CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)CCl)CC1 34910216 GMXUOEIWKAEBRC-UHFFFAOYSA-N 492.013 1.682 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(C(=O)OC)cc3)nnn2-c2nonc2N)c1 254705739 PKOGGTBVYVUYLS-UHFFFAOYSA-N 476.453 1.849 50 10 JDGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 725414747 XEBDXEPJLXWWOG-OAQYLSRUSA-N 496.520 1.626 50 10 JDGE C=CC[C@@]1(C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)CCCN1C(=O)OC(C)(C)C 1450222161 ABFVJCJOUMFOQA-HJPURHCSSA-N 456.499 1.931 50 10 JDGE NNC(=O)COc1cccnc1NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 1858836198 KYRQKFPRMQMYIA-UHFFFAOYSA-N 492.905 1.339 50 10 JDGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 1901529772 ILJOEEHIBFBZOZ-LJQANCHMSA-N 465.340 1.756 50 10 JDGE CO[C@@H]1C[C@@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1906688096 ZTVNFWAORWNSSD-UONOGXRCSA-N 459.362 1.877 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCC2CCN(C)CC2)cc1 725728082 FONHBQSUWZVDEM-UYRXBGFRSA-N 450.543 1.799 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(CCBr)CC1 2046028733 KSEVEMQJXMVDFT-SFHVURJKSA-N 476.368 1.353 50 10 JDGE O=C1CC[C@H](N2C(=O)c3cccc(NC(=O)CCCCCBr)c3C2=O)C(=O)N1 2049393580 QBULHVGDSQILSF-ZDUSSCGKSA-N 450.289 1.982 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)C[C@@H]1CC(F)F 2240343684 VVDFKBQDWQKSJW-NSHDSACASA-N 450.089 1.605 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40658856 HVUSEFYDEFUBFI-UHFFFAOYSA-N 482.413 1.744 50 10 JDGE NNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 145564171 LOIYZIMLLRKKNS-LLGFUMIMSA-N 484.667 1.055 50 10 JDGE CCN1CC[C@H](CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 730936051 HRPVLSNKAPRWIE-UEXNTNOUSA-N 450.543 1.799 50 10 JDGE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961560 LWRYNOIPSMEDRM-IAGOWNOFSA-N 467.526 1.834 50 10 JDGE COCC[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541117 HPIHLBSGVUVVPW-YVEFUNNKSA-N 465.341 1.730 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(I)sn1 2008521332 JMSXDHKUFAPXMA-NJGYIYPDSA-N 451.105 1.038 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@H]21 2040596370 MURNAZBIEQEWIS-YESZJQIVSA-N 471.373 1.877 50 10 JDGE CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](CB(O)O)C(=O)O)cc1I 2124537014 VETSLXKHLGXSDA-NSHDSACASA-N 478.048 1.294 50 10 JDGE Cc1cc(B(O)O)c(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)s1 2255524209 PFIFFOMDCBERRC-UHFFFAOYSA-N 460.361 1.361 50 10 JDGE Cc1sc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)cc1B(O)O 2267041797 MMRICEBDDSILSF-SFHVURJKSA-N 473.404 1.588 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(Cl)ccc2B(O)O)C1 2281711884 QEDDFTBTDSONPA-IBGZPJMESA-N 487.793 1.871 50 10 JDGE C[C@@]1(c2ccc(CNC(=O)NNC(=O)c3ccc(Br)cc3)cc2)NC(=O)NC1=O 1321413431 KGLGJQUXAODBPV-IBGZPJMESA-N 460.288 1.648 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2023480484 BUNFVVRSNVTRIW-FZKQIMNGSA-N 457.346 1.631 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H]1CCBr 2046021446 BOTMITQBAYWVLM-UGSOOPFHSA-N 477.352 1.826 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CN=c2cc(B(O)O)c(Cl)c[nH]2)C1 2263279214 DQLHLWLISOPCFI-KRWDZBQOSA-N 460.771 1.370 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c21 2268655653 OHOFPIQQVHMBMM-OXJNMPFZSA-N 454.332 1.754 50 10 JDGE CC(=O)Nc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254869691 YJLDTWHDIQJLIK-UHFFFAOYSA-N 475.425 1.351 50 10 JDGE CN1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H](CCBr)C1 2138076760 CRQLJPRTHKNZSM-KUHUBIRLSA-N 490.395 1.742 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(Cl)c(B(O)O)c1 2146000187 DDGSSQHCMWMDDW-UHFFFAOYSA-N 450.709 1.228 50 10 JDGE CC(C)(C)OC(=O)NC1CCN(CCNS(=O)(=O)N2CCC(Br)CC2)CC1 2162591556 LXOFDHGQCPYGLB-UHFFFAOYSA-N 469.446 1.669 50 10 JDGE Cn1nc(C(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c(B(O)O)c1Cl 2247751124 SWQCQZZJTYIRET-UHFFFAOYSA-N 450.732 1.311 50 10 JDGE Cc1cc(S(=O)(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2247883442 FBWQWQRUJDAUMZ-UHFFFAOYSA-N 480.351 1.492 50 10 JDGE C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1nscc1B(O)O 2268633115 QGQGRLAYQIILFJ-QRQCRPRQSA-N 474.392 1.170 50 10 JDGE COc1cc(/C=N/Nc2nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59881600 JPRGOEGFMNNVCW-LLADZKGESA-N 466.480 1.157 50 10 JDGE COc1ccc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1[N+](=O)[O-] 169891751 CWULDGZIKKXULA-RKQRPNFGSA-N 456.440 1.359 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@]3(C)C[C@@H]3Br)c2)CC1 1588025870 JCUBCNHHGYJZDK-FUHWJXTLSA-N 458.378 1.443 50 10 JDGE C[C@H](C(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-])n1cnc2sc3c(c2c1=O)CCCC3 1860770347 DYCRQFJNZPSAKW-LLVKDONJSA-N 477.524 1.816 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 1942272149 ADMMEIAOTHCKOP-HZPDHXFCSA-N 458.378 1.402 50 10 JDGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@H]1O 196494030 OOAVDWDELLQGHO-IJLUTSLNSA-N 468.364 1.811 50 10 JDGE O=C(CNC(=O)c1ccccc1Cl)NNS(=O)(=O)c1ccc(Br)s1 1857965609 ZERNLXNTDDHEGC-UHFFFAOYSA-N 452.739 1.904 50 10 JDGE NNC(=O)[C@@H]1CCC[C@@H](Cn2cnc(I)c2I)O1 2073542384 PZOMUNCSLOYLDR-BQBZGAKWSA-N 476.056 1.020 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B(O)O)c1 2140552208 XVISUZOZYUFWHW-UTKZUKDTSA-N 456.348 1.524 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B(O)O)Cc1ccccc1 2247953872 WJSRFOHZBQYHBX-UHFFFAOYSA-N 459.402 1.287 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2c(F)cc(B(O)O)cc2F)C1 2266860203 NRTAZTZWQWVPOP-UHFFFAOYSA-N 462.258 1.838 50 10 JDGE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1 20923285 WWEQMILZVZFGMU-ZVBGSRNCSA-N 459.463 1.657 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCOC[C@@H]1Br 706726683 GJHWOCVFMZSBPC-LSDHHAIUSA-N 459.362 1.781 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)[C@H]2C1 1564879062 SZDMYNVXXXLGKV-ZYSHUDEJSA-N 454.531 1.568 50 10 JDGE C#CCN(CC(=O)NNC(=O)c1ccc(CSc2nncn2C)cc1)C(=O)OC(C)(C)C 1648433324 XBYGZGJOKBIVRO-UHFFFAOYSA-N 458.544 1.739 50 10 JDGE COC[C@](C)(CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546155 YAVPKPIZVGTPAH-IRXDYDNUSA-N 465.341 1.730 50 10 JDGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 9821964 ADLMUFXRPOGZFD-UHFFFAOYSA-N 462.484 1.725 50 10 JDGE Nn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104767338 FCNWAIOLFGSLMZ-UFWORHAWSA-N 487.414 1.626 50 10 JDGE COc1cc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccc(C)cc1 169891963 LEWUNEVTAODLRS-LSHDLFTRSA-N 455.496 1.597 50 10 JDGE CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 853447618 IFVFDMBEALKCHG-ISPGYRLHSA-N 474.521 1.993 50 10 JDGE OB(O)c1cc(I)c(I)cc1OC(F)(F)F 2060033986 BAOWMABTKGSSQI-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCN2C[C@H](Br)C[C@H]2C1 2089701641 VMQUEAKCDDVCLM-CVEARBPZSA-N 484.416 1.936 50 10 JDGE CN(C)C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2122389557 FCIOMEVEWGCLKK-BIENJYKASA-N 490.395 1.740 50 10 JDGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@@H]2COC[C@H]21 2162598899 CRRVWUMVBHNCSG-VHDGCEQUSA-N 468.414 1.705 50 10 JDGE Cc1csc(CN(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2256671862 YWYREEYFXAOEFE-QGZVFWFLSA-N 462.377 1.805 50 10 JDGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NNC(=O)c2cn(C)c3ccccc23)c1 10736822 XVHLBFJBMFZQOO-UHFFFAOYSA-N 485.566 1.400 50 10 JDGE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728889450 JKCJMOLGQOPVGV-LJQANCHMSA-N 471.537 1.504 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(C)c(C)c1 1080323688 KFNUHLYTJQBZFF-LJQANCHMSA-N 492.582 1.779 50 10 JDGE CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)COc3ccccc3Br)CCC[C@H]2C1 1478773073 ZKNGFVFZMDJIRK-LZWOXQAQSA-N 453.337 1.805 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)C1CC(OCc2ccccc2)C1 1977069253 CUMAUGVUPCNAKG-JXQTWKCFSA-N 453.298 1.630 50 10 JDGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2044262054 KWXDZNKRULEZIH-QGZVFWFLSA-N 476.393 1.718 50 10 JDGE CO[C@@H]1[C@H](OC)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2218190298 PSBLICFQGADFND-XHSDSOJGSA-N 475.361 1.112 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B(O)O 2268646029 RSOWAWQXFBLZGN-KRWDZBQOSA-N 463.290 1.608 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B(O)O)c2C1 2268655757 PLOMFXOZEIPTOS-IERDGZPVSA-N 454.332 1.707 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)NCc2cnc(B(O)O)s2)CCN(Cc2ccccc2)CC1 2283981621 OCWYCUZKFAAELY-UHFFFAOYSA-N 488.419 1.389 50 10 JDGE O=C(NNC(=O)c1c2c(nc3ccccc13)CCC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 9703469 WFVWJZVGVMPSAZ-UHFFFAOYSA-N 480.546 1.819 50 10 JDGE O=C(O)[C@@H](CCSSCC[C@@H](NC(=O)C(F)(F)F)C(=O)O)NC(=O)C(F)(F)F 38380858 YAJJPBDKGWHGFJ-PHDIDXHHSA-N 460.374 1.411 50 10 JDGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-])c1cccnc1 40658649 RJQBFEWDTFHKAJ-UHFFFAOYSA-N 473.793 1.855 50 10 JDGE Nn1c(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)nnc1-c1cccc([N+](=O)[O-])c1 58988147 YDLVHWZEYMQBGP-UFWORHAWSA-N 458.416 1.423 50 10 JDGE COc1cc(C(=O)NCC(=O)NN=C2C(=O)N(CCCC#N)c3ccccc32)cc(OC)c1OC 254341194 CEBGDBDUOLTTSQ-UHFFFAOYSA-N 479.493 1.613 50 10 JDGE N=c1nn[nH]n1CC(=O)NN=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 1083950901 AZJYPDBAGOZEDL-UHFFFAOYSA-N 456.511 1.125 50 10 JDGE Cc1nc(I)c(I)n1Cc1ccc(C(=O)NN)nc1 2120210969 YIHYBFVRDHDVET-UHFFFAOYSA-N 483.051 1.448 50 10 JDGE Cc1cccc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1B(O)O 2287639026 OEONXTZQGZGXPD-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2368873491 OCUWSXBITRQMHF-SOUVJXGZSA-N 468.414 1.847 50 10 JDGE COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 12569900 IVNBQZVKQDIXRH-UHFFFAOYSA-N 464.456 1.335 50 10 JDGE C/C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)=C1\C(=O)NC(=O)SC1=O 96577165 OTTPLRRFJVOQCZ-UVTDQMKNSA-N 486.959 1.145 50 10 JDGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)c3cccc(S(C)(=O)=O)c3)c2)CC1 1310564685 ASCHRFAVKPUBDB-UHFFFAOYSA-N 459.528 1.225 50 10 JDGE CC(=O)N1Cc2ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)cc2C1 1623178884 OSBHUDGNVZUYQO-UHFFFAOYSA-N 459.528 1.331 50 10 JDGE C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1I)[C@H]2[C@@H]3C(=O)O 1848441422 WLHKCLCEVMWIKC-FFBFMGKGSA-N 474.291 1.665 50 10 JDGE C[C@H](C(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O)n1cnc2sc3c(c2c1=O)CCCC3 1860771893 LBCUVYBGLCTYIK-CYBMUJFWSA-N 493.545 1.732 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCC4(CC3)OCCO4)C2)C1 1872961881 NCPMKVBCJUIEBR-ROUUACIJSA-N 471.558 1.298 50 10 JDGE Cc1nc(I)c(I)n1C[C@@H]1CC[C@H](C(=O)NN)C1 2061289785 XASKTHWNZDIEIS-SFYZADRCSA-N 474.084 1.807 50 10 JDGE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106773053 JMQFHTHSBSDOPJ-ZYHUDNBSSA-N 450.321 1.870 50 10 JDGE O=C(NOCCCNC(=O)c1cc(B(O)O)ccc1O)OCC1c2ccccc2-c2ccccc21 2256018980 URRGXTLSQUJDOY-UHFFFAOYSA-N 476.294 1.662 50 10 JDGE Cc1c(B(O)O)csc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2267039866 MEPSNUUBVKWCHL-GOSISDBHSA-N 473.404 1.588 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B(O)O)cn2C2CC2)CCN1C(=O)OC(C)(C)C 2282320337 HBHBEADKWKQWIO-UHFFFAOYSA-N 478.355 1.348 50 10 JDGE Cc1cc(S(=O)(=O)N2C[C@@H](C)N(C(=O)OCc3ccccc3)[C@H](C)C2)sc1B(O)O 2282371904 QSSMTQCYVPCNOA-HUUCEWRRSA-N 452.363 1.156 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B(O)O)C1 2283955673 GKISQBPIBXEINJ-HTAPYJJXSA-N 468.359 1.750 50 10 JDGE Cc1nc(Sc2cc(I)ccc2Br)ncc1B(O)O 2338313624 SKEBZFYZOLHDPA-UHFFFAOYSA-N 450.892 1.983 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccccc1N/C=C1/C(=O)N(C)C(=O)C(C#N)=C1C 101459155 FCPXCZQWSANAGB-MJZABRMRSA-N 456.462 1.956 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c1CN1CCc2ccccc2C1 254432802 UIYPFWJSQWZIAI-UHFFFAOYSA-N 488.468 1.463 50 10 JDGE NNC(=O)c1ncc(Cn2cnc(I)c2I)s1 711357633 ZEUAJFQEXOJVAM-UHFFFAOYSA-N 475.053 1.201 50 10 JDGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2C)CC1 727742972 LPADXAXZEOUNEP-PDGQHHTCSA-N 452.540 1.369 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@@]2(CCOC2)C1 2163058589 LWXKXTWGFNDTLR-PBHICJAKSA-N 468.414 1.849 50 10 JDGE CO[C@@H]1[C@H](OC)CN(C(=O)c2cnn(C)c2I)[C@H]1CBr 2233351861 CCDWZWIXWFMCHT-AEJSXWLSSA-N 458.094 1.274 50 10 JDGE CO[C@@H]1[C@H](OC)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H]1CCl 2233356567 QBHUKCGYMOWMSZ-BBWFWOEESA-N 458.964 1.592 50 10 JDGE C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 28621940 JFIJXJUNQCUXEL-AWEZNQCLSA-N 464.457 1.795 50 10 JDGE C=CCCC[C@H](C)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1224915513 ZUTUIBKZSYEULJ-KRWDZBQOSA-N 452.577 1.715 50 10 JDGE C/C(=C\c1cccnc1)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1521833300 UMOUQFWAJPUJRA-BMRADRMJSA-N 458.540 1.286 50 10 JDGE Cn1ncc(Br)c1S(=O)(=O)N1C[C@H](Br)[C@H](Br)C1 2019466377 MACIRYHMKFEGHW-KNVOCYPGSA-N 451.966 1.714 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)ccc1B(O)O 2255500834 MSPARPGWWCCTOT-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cccc(B(O)O)c2)C1 2266967059 GQYJOZCVUOGJQX-NRFANRHFSA-N 453.348 1.218 50 10 JDGE Cc1sc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1C 2267238866 KMDPGZNRQMRPAF-UHFFFAOYSA-N 474.388 1.669 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B(O)O)cccc21 2268634992 MIWUBCXOTLSIMO-KKSFZXQISA-N 454.332 1.754 50 10 JDGE Cc1ccc(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(F)c1B(O)O 2352964381 IEDRDQUVWSTARM-SFHVURJKSA-N 459.327 1.778 50 10 JDGE COCCCNC(=O)/C(C#N)=C/c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O 34990358 RGUCEAQPWZZAIF-BMRADRMJSA-N 453.499 1.097 50 10 JDGE Nn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58987273 UPMRYGRECFWPKY-FBCYGCLPSA-N 474.415 1.129 50 10 JDGE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)c2cnn[nH]2)ccc1Cl 729455634 PIYHRPDWXQHDPZ-UHFFFAOYSA-N 460.903 1.914 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B(O)O)cc2C1 2268633214 BBMLBOKAUQFXGE-MGPUTAFESA-N 474.388 1.811 50 10 JDGE CN(Cc1ccc(B(O)O)cc1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268711909 PEMQGDSVTAVSAH-OAQYLSRUSA-N 456.348 1.825 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)c1sccc1Br 234616849 CDBIHEJYBXWGJX-LURJTMIESA-N 454.105 1.766 50 10 JDGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccc(O)c(O)c1 1084453991 ZVSYFHLKCLETJB-UHFFFAOYSA-N 487.410 1.711 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNc1ccnc(Br)c1)c1ccc(S(C)(=O)=O)cc1 1639150785 XDZNBQOYFHSNIJ-QGZVFWFLSA-N 455.334 1.742 50 10 JDGE COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872963073 YWJJXUDYQFHLDO-IAGOWNOFSA-N 467.526 1.834 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCOC1 2019202565 MQTVRDGARPYMEG-UONOGXRCSA-N 459.362 1.782 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccsc2B(O)O)CCN(Cc2ccccc2)CC1 2267318565 QKQXDEFQPORTOG-UHFFFAOYSA-N 473.404 1.717 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 2297709487 MTVGIEWKWUEUFW-UHFFFAOYSA-N 454.451 1.281 50 10 JDGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC 242951159 HEZFBCVOJKGOHH-APWZRJJASA-N 464.588 1.339 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2199844345 ULBVXFQNZJRSIH-KRWDZBQOSA-N 470.430 1.954 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@]2(CBr)C1 2226176278 PUVUJTHJBNKZBN-VBKZILBWSA-N 485.400 1.982 50 10 JDGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ncc(B(O)O)s1 2243925988 DBSSGGFAQBFBPI-UHFFFAOYSA-N 465.340 1.758 50 10 JDGE Cc1c(Cl)cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2281654946 OTAFHGKNQWOJKV-UHFFFAOYSA-N 488.777 1.952 50 10 JDGE O=C(NC1CCN(S(=O)(=O)c2ccc(B(O)O)cc2Cl)CC1)OCc1ccccc1 2282733147 QVWYKSNLOOJQMD-UHFFFAOYSA-N 452.725 1.099 50 10 JDGE CN(Cc1ccc(B(O)O)cc1)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284137280 MNBODEFIANBDPR-UHFFFAOYSA-N 468.359 1.779 50 10 JDGE O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1nonc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59465436 LSTUMQBRUVEPAC-LQGKIZFRSA-N 452.343 1.414 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 106404017 GRDUQQNEXMJRRS-PNKHAZJDSA-N 498.282 1.198 50 10 JDGE Cc1csc([C@@H](C)NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 727942284 BNCRCHXFKFQTHC-OAHLLOKOSA-N 481.600 1.497 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3nccnc3C3CCC3)c2)CC1 1157300192 OMYCNYDHTUNXIT-UHFFFAOYSA-N 458.544 1.354 50 10 JDGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1538534398 FTPTXBMUNJMVPA-MRXNPFEDSA-N 452.533 1.005 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)[C@H]1CCN1C1CCOCC1)c1cccc(Br)c1 1558459272 RTXBZNSELXMPNB-SJORKVTESA-N 453.337 1.027 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1 1633773588 MDYDLKVYXKHYAA-UHFFFAOYSA-N 458.565 1.445 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1 1639286005 YMMMOAFBVWICRW-UHFFFAOYSA-N 454.508 1.875 50 10 JDGE CC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H]3OC(C)(C)O[C@H]32)N(C)C1 1848439084 OCZLAKAMOSUOEB-SOFPIQDHSA-N 451.029 1.798 50 10 JDGE COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)C(C#N)=C(C)N)cc(OC)c1OC 2040426058 KUKYCTYGUDPNEP-OAHLLOKOSA-N 465.528 1.432 50 10 JDGE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CCO1 2106296809 CDJBJSKYQTUUCT-ZIAGYGMSSA-N 456.403 1.752 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)C2(B(O)O)CCC2)CC1 2255488882 KYVLIWHLULWLQU-UHFFFAOYSA-N 455.361 1.700 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(F)cc2B(O)O)C1 2267622694 ACBBTSHGYXNLIQ-UHFFFAOYSA-N 480.323 1.247 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B(O)O 2289665976 RZRHLXOSGHKWFR-IERDGZPVSA-N 474.338 1.663 50 10 JDGE NC(=O)COc1ccc(C=NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 13139741 TZPRSIIPVDQEPD-GOSISDBHSA-N 464.931 1.508 50 10 JDGE COc1ccc(CC(=O)NN[C@@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)cc1 102407340 DDQFIKHVXZKQKK-HXUWFJFHSA-N 450.495 1.313 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21)c1ccccc1O 254566971 PRUOCXBDAOCRAC-UHFFFAOYSA-N 459.470 1.655 50 10 JDGE CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 751066834 COUGNXGDLQINPA-NRFANRHFSA-N 472.567 1.588 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)cc2)cc1 1627447202 AYHPVQYNQQHUQJ-QRWLVFNGSA-N 459.524 1.554 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)CCCN3C(=O)c4ccccc4C3=O)cnc2s1 1860769908 LDVHHPUEELTSGZ-UHFFFAOYSA-N 467.507 1.244 50 10 JDGE CC(=O)Nc1cccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961609 MINIJQNACRDKSF-MSOLQXFVSA-N 464.526 1.775 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)N(C)C[C@H]1C[C@@H]1Br)NC(=O)OCc1ccccc1 2249450838 PHOOOCLXNUXQQN-QLFBSQMISA-N 463.350 1.499 50 10 JDGE COc1ccc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(B(O)O)c1 2281792098 SKXSCMBVEKSYKF-UHFFFAOYSA-N 460.339 1.576 50 10 JDGE CCCCC(=O)NNC=C1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O 2296082839 WZWMBTKGMITBQW-UHFFFAOYSA-N 456.240 1.569 50 10 JDGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)c1 10294102 SARODIQHHIOGPI-UHFFFAOYSA-N 466.313 1.950 50 10 JDGE CCN(CC)c1c(C=NNc2nc(SCC(=O)NNC(C)=O)n[nH]2)c(C)nn1-c1ccccc1 1084064617 NWWFHCXMDVKFQY-UHFFFAOYSA-N 484.590 1.850 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2S(=O)(=O)CI)C1 2007717926 LCPYRCPFNKQRKU-AWEZNQCLSA-N 476.333 1.047 50 10 JDGE O=C(NOCCCNC(=O)c1nscc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243348295 WRSORUKKTRZIRL-UHFFFAOYSA-N 467.312 1.413 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@@](C)(CBr)CNC(=O)OC(C)(C)C)CC1 2278336378 LLRWNYOXXJNEQB-INIZCTEOSA-N 458.419 1.952 50 10 JDGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)c(C)n1 2301664855 OPQSHIJWZRIPQX-OAQYLSRUSA-N 460.299 1.721 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B(O)O)c2C1 2336495838 AKARXTWINVOCKO-YWZLYKJASA-N 474.388 1.811 50 10 JDGE O=C(NCCN1CCN(C(=O)CCCBr)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 20904581 SXJOOVVUVPOAQX-QGZVFWFLSA-N 465.392 1.475 50 10 JDGE COc1cc(OC)c(OC)cc1C=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 254753054 UZRXEIWFAFVRGK-UHFFFAOYSA-N 490.582 1.477 50 10 JDGE O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C1CCN(c2ncccn2)CC1 728844920 AUPAWAITOAWRCD-INIZCTEOSA-N 478.600 1.145 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3cccnc3Cl)ccc2F)CC1 1638801168 CFKZDSXEOFWHMX-UHFFFAOYSA-N 455.899 1.484 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1F 2247940799 ASIHOOPXKOVXFF-UHFFFAOYSA-N 452.313 1.221 50 10 JDGE Cc1nc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cn1C 725877715 HGLQHRFMQHVKJL-UHFFFAOYSA-N 475.502 1.186 50 10 JDGE Cc1nc(S(=O)(=O)NCCOCCCI)c(Br)n1C 2104021310 LWOZFYDMUAOPTR-UHFFFAOYSA-N 466.139 1.611 50 10 JDGE Cc1nc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ncc1B(O)O 2256636224 KRRZAASHPPAVMC-QFIPXVFZSA-N 474.326 1.967 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)s1 2268710082 GOCFFXBSGMQCLG-HSZRJFAPSA-N 473.404 1.522 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(B(O)O)c(F)c2)C1 2287638194 BDGWIICVJQUHHM-UHFFFAOYSA-N 481.330 1.092 50 10 JDGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 2324087718 XWQZSTJGKUPSAI-KRWDZBQOSA-N 455.378 1.846 50 10 JDGE COC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc2ccccc2c1Br 12500827 YTGVNTWADNDGGO-UHFFFAOYSA-N 468.329 1.956 50 10 JDGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 13997525 FUMPVZSKKRRJPS-UHFFFAOYSA-N 460.350 1.892 50 10 JDGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749112508 GCLDKDCOGMSBIT-YOEHRIQHSA-N 467.569 1.915 50 10 JDGE COc1ccccc1N1CCN(C(=O)C(=O)NN=Cc2cc3c(cc2Br)OCO3)CC1 1084328437 MTTRDCZYKLWIDG-UHFFFAOYSA-N 489.326 1.985 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@]1(CBr)CO2 2046030363 XOLXCSKWQCOUSH-NXOUGTEYSA-N 475.336 1.579 50 10 JDGE OB(O)c1cc(I)cc(OC(F)(F)F)c1I 2060036814 PRQBHVMMFMHOFG-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)N2CCC(Br)CC2)C1 2188789124 VEPQOAOYMYATFC-STQMWFEESA-N 470.386 1.533 50 10 JDGE O=S(=O)(Cc1ccc(B(O)O)cc1)NCCCN(Cc1ccccc1)Cc1ccccc1 2255759535 AWWPXEHVOLJGBG-UHFFFAOYSA-N 452.385 1.878 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1B(O)O 2256664384 BUVPPOFNURUARJ-INIZCTEOSA-N 450.247 1.693 50 10 JDGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 2296543510 IUPNHUWQAIQYOP-INIZCTEOSA-N 480.502 1.706 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(I)c2)cc1 59460874 RIJOWSDRPQRMAB-UHFFFAOYSA-N 459.265 1.873 50 10 JDGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1 254520979 QAZJWUUMBQOBHG-CYBMUJFWSA-N 467.490 1.157 50 10 JDGE CN(CCCNC(=O)OC(C)(C)C)CCCNS(=O)(=O)N1CCC(Br)CC1 2162600841 JVXJHWXBPBZLIF-UHFFFAOYSA-N 471.462 1.917 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B(O)O 2289647134 RZRHLXOSGHKWFR-HRAATJIYSA-N 474.338 1.663 50 10 JDGE CS(=O)(=O)N(CCC#N)Cc1ccc(C=C(C#N)C(=O)NCc2ccc3c(c2)OCO3)o1 2313624036 JKPWQUOJDSAWEM-UHFFFAOYSA-N 456.480 1.907 50 10 JDGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 2313892710 BEZSRVPEWGEQFQ-AWEZNQCLSA-N 457.468 1.272 50 10 JDGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CN(CCN(C)C)[C@H]1CCS(=O)(=O)C1 2325220451 ZYAKYYRGBWJKAQ-INIZCTEOSA-N 451.505 1.000 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(C)c(C)c1 35254032 KFNUHLYTJQBZFF-DMVFFGLYSA-N 492.582 1.779 50 10 JDGE Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)C(=O)NC2CC2)c1C 843404402 HJJHKXFZRXTCPW-UHFFFAOYSA-N 458.540 1.761 50 10 JDGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084363224 TUNQRRYNBCCVRQ-UHFFFAOYSA-N 472.443 1.726 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC(I)C1 1904389786 MJNQXEWRNIEIJQ-UHFFFAOYSA-N 462.309 1.902 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COCC[C@@H]1Br 2000546299 ZICXZLDAOPPOPA-VBQJREDUSA-N 463.325 1.483 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCN2C[C@H](Br)C[C@@H]2C1 2029232349 HMLAGQRFPKGFTJ-HUUCEWRRSA-N 470.389 1.546 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cc(B(O)O)cs2)CCN(Cc2ccccc2)C1 2256613608 JRUNFDNKXDQCHY-QFIPXVFZSA-N 459.377 1.214 50 10 JDGE CCc1nn(C)c(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2267021117 OTQQVBFMILEQEV-UHFFFAOYSA-N 492.341 1.253 50 10 JDGE C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cccc(B(O)O)c1 2268722029 UHAIDPFCFDGUDY-GOSISDBHSA-N 455.364 1.571 50 10 JDGE Cc1cc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)ccc1B(O)O 2282274787 FTJFAZBDTPGWLI-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(CCOCCI)CCN2C1=O 2306803266 WWSUTGVMDVXVFA-STQMWFEESA-N 453.321 1.248 50 10 JDGE COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1OC 4507066 POGFXHHRYCGEDS-UTCJRWHESA-N 450.425 1.154 50 10 JDGE COc1cc(C=NNC(=O)CCC(=O)NN=Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 1084106531 PNRYMASAPKOUDX-UHFFFAOYSA-N 498.492 1.935 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1 1628056008 NZRDUQWCERBKKK-UGSOOPFHSA-N 452.602 1.726 50 10 JDGE CN(Cc1ccc(B(O)O)s1)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256641252 MGMRGQXBEIJTQB-KRWDZBQOSA-N 462.377 1.887 50 10 JDGE CCCn1cc(B(O)O)cc1C(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2267326341 DFNKEWIOQXQFGH-UHFFFAOYSA-N 457.336 1.771 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(B(O)O)c1Cl 2267352687 AAYFKXCTDNGUDC-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE C[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268649549 JNHISGNLVJNFMU-UTKZUKDTSA-N 455.364 1.569 50 10 JDGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630292 QPQCHEHAKNRIOR-OAHLLOKOSA-N 474.539 1.379 50 10 JDGE C#C[C@H](CO)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1141496343 PMJJZIMSZVPFJH-XMCSSRMMSA-N 456.300 1.205 50 10 JDGE COC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](Br)[C@H](OC)N1C(=O)OC(C)(C)C 1531865215 CRKMKFBLFUROCW-FHIRATQRSA-N 479.368 1.912 50 10 JDGE Cc1cc(S(=O)(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)sc1B(O)O 2247882093 JRGGOGGJLNBKOM-UHFFFAOYSA-N 470.378 1.384 50 10 JDGE Cc1ccc(B(O)O)cc1S(=O)(=O)NCCN(OCc1ccccc1)C(=O)OC(C)(C)C 2255884759 DASCDGUMXWGOHI-UHFFFAOYSA-N 464.349 1.322 50 10 JDGE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)ccc1B(O)O 2273751527 HYEQDMKMKNBCKO-LAUBAEHRSA-N 456.348 1.790 50 10 JDGE Cc1cc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)ccc1B(O)O 2287638857 NDVGGPYCOZKQCN-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1I 13629077 GIUZEESMCQYDQC-NSHDSACASA-N 453.236 1.694 50 10 JDGE CCOc1cccc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)c1OC 169891802 SKHBZBHAAXNASJ-MTEVNVADSA-N 455.496 1.849 50 10 JDGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 1465260864 IDEPYXIGGPPVED-MRXNPFEDSA-N 454.483 1.982 50 10 JDGE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NNC(=O)c1cccc(C#N)c1 1640786881 KYDDOUIOKKCGEA-UHFFFAOYSA-N 453.572 1.917 50 10 JDGE Cn1nc(Br)cc1S(=O)(=O)N1C[C@H](Br)[C@H](Br)C1 2019466382 MCAHCAYCCFNBGJ-OLQVQODUSA-N 451.966 1.714 50 10 JDGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 2314738593 RGWQQDRPCLANNB-UHFFFAOYSA-N 463.446 1.566 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2318651859 MAZCRFQMEONODX-QGZVFWFLSA-N 450.247 1.693 50 10 JDGE COC(=O)[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2320334205 MVLSHBCPGMZBIP-HNNXBMFYSA-N 475.361 1.699 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1C[C@@H](Br)CCO1 1948600565 BLQXNJNRPVEODU-UONOGXRCSA-N 459.362 1.925 50 10 JDGE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106776644 KEOFXBMCRTVUFG-KGLIPLIRSA-N 456.403 1.705 50 10 JDGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)N[C@H](CB(O)O)C(=O)O)c1 2124537598 ZXWWVIYQBRHDSS-LLVKDONJSA-N 478.048 1.294 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cscc2B(O)O)CCN1C(=O)OC(C)(C)C 2247733189 NFZQTCDJBYFXBD-UHFFFAOYSA-N 455.342 1.273 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(B(O)O)c(Cl)c1 2255686722 VZXIPHMTRNVIMD-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)Nc1nc(B(O)O)ccc1Cl 2256612979 HKCGPCRAEPEPBF-HNNXBMFYSA-N 463.727 1.854 50 10 JDGE Cc1nc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(B(O)O)s1 2266895063 FIFFCVVIZNLDBP-UHFFFAOYSA-N 486.400 1.059 50 10 JDGE Cc1ccc(S(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(B(O)O)c1 2282367856 ILNBFRCRXYJEAC-UHFFFAOYSA-N 480.395 1.425 50 10 JDGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)CSCC(=O)Nc2ccccc2)c2ccccc21 59167298 VNCPPAUWELQQLG-HPNDGRJYSA-N 467.551 1.752 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)NNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 1858082071 DCJQOFZOQLNMMR-UHFFFAOYSA-N 467.548 1.269 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 2177846643 KAWYNQIEOPJRPH-SCZZXKLOSA-N 467.588 1.941 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)s1 2256621466 VFQNNUUMYZDCGH-BEFAXECRSA-N 462.377 1.885 50 10 JDGE C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cc(B(O)O)cs1 2268633776 ULNWHGOVWSVFIE-MWTRTKDXSA-N 473.404 1.775 50 10 JDGE Cc1csc(CN(C)C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2268645490 PYLIFTIQWGQRAF-SFHVURJKSA-N 475.420 1.720 50 10 JDGE CNC(=O)C(C#N)=Cc1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2296732296 RXVBWJBGDBVPGQ-UHFFFAOYSA-N 458.522 1.991 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)CCNC(=O)/C=C\c3ccccc3)C2)cc1 229437416 ZGDNFJOTZBUDLM-YXAHYSCSSA-N 498.605 1.763 50 10 JDGE OB(O)c1c(Br)ccc(I)c1I 2059985602 XTHJJVMLJQFPGI-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CN(C[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCO1)C(=O)OC(C)(C)C 2106774763 YZDUFDZUCZODEA-AWEZNQCLSA-N 456.403 1.658 50 10 JDGE Cc1nc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(B(O)O)s1 2255780654 ZWGVMIWCWJMJQK-UHFFFAOYSA-N 451.357 1.333 50 10 JDGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)cc2C1=O 14798001 PSAHGOREPYUXBB-UHFFFAOYSA-N 461.522 1.442 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3cc(C)ccc3F)ccc2F)CC1 1632145488 KWGDHSFWGCNNNX-UHFFFAOYSA-N 452.483 1.883 50 10 JDGE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)N2CCC(Br)CC2)s[nH]1 2067322974 RLQALSMABFQFGA-UHFFFAOYSA-N 456.388 1.501 50 10 JDGE CS(=O)(=O)CC1CN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2179784801 DXBIQMJWAFVPBG-UHFFFAOYSA-N 451.158 1.602 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)Cc1cccc(Br)c1 2226105883 RQILGYMBSUWKPA-SNVBAGLBSA-N 462.103 1.845 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ncc(B(O)O)s2)C1 2256640915 LBJMSEBTMUPPHK-OAQYLSRUSA-N 461.349 1.605 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2121647542 ZUXHUENWSFYGNZ-RDBSUJKOSA-N 454.387 1.314 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1Cc2cccc(B(O)O)c2C1 2268722498 BBWANRCVTHKYEL-LJQANCHMSA-N 454.332 1.709 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c2C1 2283958134 WCIHWGBSKCBAOE-JTSKRJEESA-N 468.359 1.750 50 10 JDGE COC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OC)c1 254558926 RDRDSANEZQUMDJ-FQEVSTJZSA-N 475.526 1.528 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B(O)O)cc2C1 2268633211 BBMLBOKAUQFXGE-FOIQADDNSA-N 474.388 1.811 50 10 JDGE Cc1csc(CN(C)C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2268645489 PYLIFTIQWGQRAF-GOSISDBHSA-N 475.420 1.720 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B(O)O)ccc1F 2268653371 LZZRSXNDMVSGBZ-FOIQADDNSA-N 460.311 1.620 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ncc(B(O)O)cc2F)C1 2283985235 GSUPDEUTKQMLMM-HSZRJFAPSA-N 473.310 1.683 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cccc(N/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c1 109799781 HEPBYCSRWKBAMW-UHWBUFEVSA-N 456.462 1.956 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC[C@H]1CBr 2000543797 NOCPEVTZIIODME-WHCBVINPSA-N 463.325 1.340 50 10 JDGE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106773229 KEOFXBMCRTVUFG-UONOGXRCSA-N 456.403 1.705 50 10 JDGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1nscc1B(O)O 2256621571 WODCNTCOHDXCBW-DEYYWGMASA-N 463.365 1.499 50 10 JDGE Cc1sc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c(C)c1B(O)O 2267036394 JHJJSEYLKRNBAU-UHFFFAOYSA-N 483.396 1.890 50 10 JDGE C[C@@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1cccc(B(O)O)c1 2284137859 TXNMJQDGLBLYAM-GOSISDBHSA-N 468.359 1.998 50 10 JDGE COCCNC(=O)C(C#N)=Cc1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 2314738221 MABJHGJWZGPMLP-UHFFFAOYSA-N 477.473 1.956 50 10 JDGE Cc1cc(/C=C(/C#N)C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F 920289701 AMQJQGFWKLZMBN-LOHYDARVSA-N 472.542 1.902 50 10 JDGE N#CSc1ccc(NC(=O)COc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 1865837694 AWOMDTLPBBGRAT-HNNXBMFYSA-N 464.459 1.678 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1COCC[C@H]1Br 1942090081 UDRKMUXQVZTGDD-CVEARBPZSA-N 459.362 1.925 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2cccc(B(O)O)c2)CC1 1965307188 SHDCXMBRCOGJJV-UHFFFAOYSA-N 477.367 1.296 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@]2(CBr)C1 2226181589 JFKUAGQMBMBSQI-FASAQXTFSA-N 489.363 1.684 50 10 JDGE Cc1cc(B(O)O)ccc1NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2268646390 ZDPZQPFMWZWGTC-IBGZPJMESA-N 456.304 1.640 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCc1ccc(B(O)O)cc1F 2269697135 CQAFWYQYCFBYDV-LJQANCHMSA-N 460.311 1.622 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(F)c(B(O)O)cc1F 2282079450 WTHJFPXICYVBOD-UHFFFAOYSA-N 487.309 1.136 50 10 JDGE COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)C(C#N)=C(N)O1 3653523 NCGMEKLRNFGWTP-IBGZPJMESA-N 483.437 1.646 50 10 JDGE CCOC(=O)C1CCN(C(=O)CCC(=O)NNc2nc3ccccc3c3nc(C)nn23)CC1 15936967 FAYVRFBQHRHBHT-UHFFFAOYSA-N 453.503 1.611 50 10 JDGE C#CCOCCOCCOCCOCCOCCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1 205370994 ONLXJDDXBLICRT-UHFFFAOYSA-N 485.486 1.843 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@]3(C)C[C@H]3Br)c2)CC1 1588025869 JCUBCNHHGYJZDK-AEFFLSMTSA-N 458.378 1.443 50 10 JDGE N#CSc1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866627686 QSHMPTRSKWZUQX-IBGZPJMESA-N 474.564 1.919 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)[C@H](Br)C1 1892578777 KVNLNZAJKMRNAM-BETUJISGSA-N 480.178 1.845 50 10 JDGE CC(C)(C)OC(=O)NC[C@@]1(Oc2nccc(B(O)O)c2F)CCCN(Cc2ccccc2)C1 2231659847 WXGGGYUUICIURU-QHCPKHFHSA-N 459.327 1.839 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCCc1ccccc1B(O)O 2268613793 YUYANEPNUKEOTL-FQEVSTJZSA-N 456.348 1.525 50 10 JDGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 2324196963 NIZNIAAVFCALBQ-UHFFFAOYSA-N 476.536 1.286 50 10 JDGE CCOC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 100480538 RCEDVNZNMNXILI-MSOLQXFVSA-N 462.374 1.058 50 10 JDGE CC(C)/C=C(/C#N)C(=O)N1CCCCOC[C@H](O)[C@H](O)[C@H](O)CN(C(=O)c2ccc(F)cc2)CC1 1615118961 KBDQXMKBRIBRMO-YRFVIOETSA-N 491.560 1.096 50 10 JDGE C=CC(C)(C)CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 1629375016 SJBQHNQSDJQBJY-UHFFFAOYSA-N 452.515 1.178 50 10 JDGE C[C@H]1C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CO 1848441420 WKZSORRGXWXXGR-QMHGBFDOSA-N 484.948 1.656 50 10 JDGE CC(C)(C)OC(=O)N1CC(OC2CCN(S(=O)(=O)CI)CC2)C1 1983327637 OOACWWZJUUKPOY-UHFFFAOYSA-N 460.334 1.809 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(CBr)CCOC1 2000539376 KRSJBTAUGPHUOF-SJORKVTESA-N 463.325 1.484 50 10 JDGE Cn1cc(Br)c(S(=O)(=O)N2C[C@H](Br)[C@@H](Br)C2)n1 2019462064 VZMIKLDWFQLRQV-WDSKDSINSA-N 451.966 1.714 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CCC(CCl)CCl)[C@@H](S(C)(=O)=O)C1 2192675044 CQJVMFWQVDKYDV-STQMWFEESA-N 467.437 1.422 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)C[C@@H]1C(F)(F)F 2240344787 KXKLCWAEYAHTIZ-LLVKDONJSA-N 454.052 1.512 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B(O)O)cc1F 2269701288 HTAHLBVSNRYTMR-FQEVSTJZSA-N 459.327 1.147 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Cl 14645301 WNLYUMQVSFLRKG-UHFFFAOYSA-N 496.767 1.473 50 10 JDGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 1084098782 LCFVDWPBOBQNFI-UHFFFAOYSA-N 479.511 1.172 50 10 JDGE Nn1c(SCC(=O)NN=Cc2ccc(F)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084622046 ASEYXCHKNSJVMO-UHFFFAOYSA-N 460.407 1.857 50 10 JDGE CC(=O)c1ccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1348363594 VOBUCONYRNCCOF-UHFFFAOYSA-N 459.524 1.304 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)CCCS(=O)(=O)c3ccccc3)c(=O)c2c1C 1865852273 QXDGIJCWFBVNOM-UHFFFAOYSA-N 462.553 1.476 50 10 JDGE CN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H](CBr)C1 2029212913 OLTRQYXBPVBXMM-HNNXBMFYSA-N 472.405 1.794 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H]1CCBr 2046021445 BOTMITQBAYWVLM-SCLBCKFNSA-N 477.352 1.826 50 10 JDGE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)CI 2056599728 BBNXOGIQDVDQCW-NEPJUHHUSA-N 490.360 1.877 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(F)cc1I 2121336644 IAPWTAIXYDKENW-WCBMZHEXSA-N 462.078 1.721 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCCc1cccc(B(O)O)c1 2205479958 ITNPXYIUWHDLTQ-FQEVSTJZSA-N 470.331 1.052 50 10 JDGE Cc1cc(B(O)O)ccc1S(=O)(=O)NCCN(OCc1ccccc1)C(=O)OC(C)(C)C 2255885333 OLMDVSNEPXWAIR-UHFFFAOYSA-N 464.349 1.322 50 10 JDGE Cc1sc(B(O)O)c(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1C 2287637968 GYJUVARTCGCCQK-UHFFFAOYSA-N 497.423 1.631 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CC1)C[C@H](Br)CO2 2005246013 HONNIHXSWXFDMA-ZDUSSCGKSA-N 457.346 1.631 50 10 JDGE CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)cc1 14645316 HEXZFLBNQCPACS-UHFFFAOYSA-N 452.533 1.421 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cc(N/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)ccc1O 106350462 NAAOKYNGKGHOCA-VJTUXUFQSA-N 472.461 1.661 50 10 JDGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253578384 YGQKTNKXIINTAJ-AYNSVGMASA-N 465.452 1.351 50 10 JDGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860770646 QNZPXCCXVKBKEI-UHFFFAOYSA-N 476.580 1.972 50 10 JDGE Oc1ncnc(N2CCN(CCOCCBr)CC2)c1I 1921093434 FXCQECWPKYONAG-UHFFFAOYSA-N 457.110 1.320 50 10 JDGE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)N2CCC(Br)CC2)CC1 2044689907 XEYSAKRMQLQASP-UHFFFAOYSA-N 460.416 1.809 50 10 JDGE Cc1cc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2256624514 WQDNXBJSTMMEHJ-GOSISDBHSA-N 461.393 1.378 50 10 JDGE CCOC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)C=Cc2ccc(OC)cc2)c2ccccc21 2296382101 AIRWXFMKEHIZOB-UHFFFAOYSA-N 464.478 1.255 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c1O 254443051 KFPWZZLNJUAPEY-UHFFFAOYSA-N 469.506 1.475 50 10 JDGE N#CCOc1cccc(C=NNC(=O)c2nonc2C(=O)NN=Cc2cccc(OCC#N)c2)c1 1084312656 DNBGGHSLXNGUBX-UHFFFAOYSA-N 472.421 1.402 50 10 JDGE O=C(Cn1nnc(N2CCOCC2)n1)NNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1088691866 BWEMNACFUWHYPG-UHFFFAOYSA-N 498.413 1.565 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@]2(CNS(=O)(=O)N3CCC(Br)CC3)C[C@H]1CO2 2106306353 XXPWPGZREAZXMC-BBRMVZONSA-N 454.387 1.459 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(B(O)O)s1 2255882243 LEROPDQYCOMISW-UHFFFAOYSA-N 472.397 1.178 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cccc(B(O)O)c2Cl)C1 2267356052 OJIUWPHPIUURHO-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(B(O)O)cc2Cl)C1 2282884493 OXBJMVWOFKXGSA-LJQANCHMSA-N 487.793 1.871 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCc3ccc(B(O)O)cc32)CCN(Cc2ccccc2)C1 2284058156 IYKVDFKRSDEWGE-VWLOTQADSA-N 465.359 1.425 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2338848707 ZLXJYVNACQVLTI-JKSUJKDBSA-N 462.977 1.167 50 10 JDGE C/C(=N/NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 59574372 UUCBOPJFLYHIJI-ULJHMMPZSA-N 473.551 1.952 50 10 JDGE CS(=O)(=O)N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 1084590546 ADNAZXDPFXZVAV-UHFFFAOYSA-N 461.500 1.348 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1873777780 RSHAGNNMHKBCDX-OAHLLOKOSA-N 480.481 1.748 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCN2C[C@H](Br)C[C@@H]2C1 2089701643 VMQUEAKCDDVCLM-HZPDHXFCSA-N 484.416 1.936 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)N(C)C[C@H]1C[C@H](Br)C1)NC(=O)OCc1ccccc1 2258190015 OSGVTYYLPHLNIC-JYJNAYRXSA-N 477.377 1.890 50 10 JDGE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)/C(C#N)=C(\C)N 9492818 JVROJKNPXXILOT-VOMSXAGXSA-N 454.892 1.968 50 10 JDGE C[C@H](Sc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)cc1 169890920 SIWQHJOAVUXHAW-ZOCVZFIWSA-N 457.443 1.447 50 10 JDGE C[C@H]1CN(C(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@@H](C)O1 217194347 CSGIQRZTXOZYFQ-YFTPPYEASA-N 468.963 1.816 50 10 JDGE C=CCN1C(=O)C(=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 254383813 BPPUBTGIJSPXKG-UHFFFAOYSA-N 452.467 1.495 50 10 JDGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084404806 YGQKTNKXIINTAJ-SECBINFHSA-N 465.452 1.351 50 10 JDGE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(B(O)O)c1 2268654806 DTVQOLISNJMRCN-MGPUTAFESA-N 458.320 1.812 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(OC)cc1 33691150 RRAGSKZXPTWQCU-BXBHGGAKSA-N 494.554 1.171 50 10 JDGE CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc1Br 169890818 RCAVVFYPNZEAAM-ZBPACCJBSA-N 456.322 1.640 50 10 JDGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 208151004 LHOKHXFDQNQIHG-YMOFFBSPSA-N 451.527 1.819 50 10 JDGE C/C(=N\NC(=O)Cn1c(NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 606629961 HVDPFRSXERNRPF-JVWAILMASA-N 459.510 1.586 50 10 JDGE C#CCCCC(=O)NNC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1635718532 KXFOHEUCCWOJBR-DOTOQJQBSA-N 455.374 1.993 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCn2c(CBr)nnc2C1 2051741816 IQCUFXLGIQVJHP-UHFFFAOYSA-N 468.333 1.005 50 10 JDGE OB(O)c1c(OC(F)(F)F)ccc(I)c1I 2060035298 GLMNSRGHUYKZKC-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCNS(=O)(=O)N2CCC(Br)CC2)CC1 2106303153 RPEBLSWQSMDDFI-UHFFFAOYSA-N 455.419 1.233 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(Cl)cccc1B(O)O 2267436176 UHALNNCSBYVQIQ-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B(O)O)c(F)cc1Cl 2270454533 LLUCCNFUMWSYBL-UHFFFAOYSA-N 489.737 1.307 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N)c1ccccc1 254592719 YOEGFJQINVVAET-UHFFFAOYSA-N 462.430 1.541 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(Br)c2)c1 1587197432 AMZSHMSRZVQPJX-UHFFFAOYSA-N 454.302 1.391 50 10 JDGE CC[C@]1(CBr)COCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2003258186 ALRPVTSWRKRDAG-SFHVURJKSA-N 459.362 1.878 50 10 JDGE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2106301265 HLZBQPLTOOPAAN-CQSZACIVSA-N 455.419 1.231 50 10 JDGE CC(C)(C)OC(=O)N(CCO)C1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2163056307 PWSVRUWFIXBBQU-UHFFFAOYSA-N 470.430 1.784 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2c(cccc2B(O)O)C1 2283936234 LHGIUURTCWGJFN-FQEVSTJZSA-N 468.359 1.751 50 10 JDGE COc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)ccc1B(O)O 2289569624 DAVRDBPUVYJCHB-IERDGZPVSA-N 472.347 1.490 50 10 JDGE O=C(NCCNC(=O)c1cc(F)c(B(O)O)cc1O)OCC1c2ccccc2-c2ccccc21 2301393299 PCXOULUYXHXDRF-UHFFFAOYSA-N 464.258 1.480 50 10 JDGE C=C[C@@H](CC)CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 1290580546 LZGYLALADXJHDS-INIZCTEOSA-N 452.515 1.178 50 10 JDGE COc1cc(C)c(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc(C)c(C)c2c1=O 1860770417 HIUYIRQKINAVRF-UHFFFAOYSA-N 450.542 1.710 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNS(=O)(=O)c3ccc(OC(C)C)cc3)cnc2s1 1860770515 LIUUAULYOXGANP-UHFFFAOYSA-N 450.542 1.817 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2022816325 YCLCHQDGMMNWMX-MELADBBJSA-N 481.637 1.350 50 10 JDGE CCOc1cccc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1O 254873287 BILVTGUCMXWASV-UHFFFAOYSA-N 460.556 1.556 50 10 JDGE COc1ccc(C=NNc2nc(SCC(=O)NNC(=O)C3CCC3)n[nH]2)cc1OCn1cccn1 1084233424 MXXNQQLMRNIBEE-UHFFFAOYSA-N 499.557 1.532 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1COCC[C@H]1Br 1942090083 UDRKMUXQVZTGDD-HZPDHXFCSA-N 459.362 1.925 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](c2nc(NS(=O)(=O)CI)n[nH]2)C1 1986786188 BYHXWITZKBTKQR-MRVPVSSYSA-N 457.294 1.663 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/NN1C(=O)c2cccc3c(N(C)CCO)ccc(c23)C1=O 103731645 JZFMDZHBQISDLM-LDADJPATSA-N 459.462 1.091 50 10 JDGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)Cn3ccc4ccccc43)CC2)cc1 729499258 CGYSSJJXSUPZBY-UHFFFAOYSA-N 450.543 1.803 50 10 JDGE C[C@H](Br)CN1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2056755069 ODTGRWGEYHLWQU-HNNXBMFYSA-N 472.405 1.794 50 10 JDGE O=C(NOCCCNC(=O)c1ccc(B(O)O)cn1)OCC1c2ccccc2-c2ccccc21 2247867317 CNLUQPKUZYDLHV-UHFFFAOYSA-N 461.283 1.352 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B(O)O)c(Cl)s2)CCN1C(=O)OC(C)(C)C 2255780999 GUAHGUWFCVSYDC-UHFFFAOYSA-N 489.787 1.926 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268610832 VMDFPQZPXOQLCP-SFHVURJKSA-N 458.320 1.814 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccccc2B(O)O)CCN(Cc2ccccc2)CC1 2281766150 PRENMPYOFZIXKJ-UHFFFAOYSA-N 467.375 1.656 50 10 JDGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40658041 ZXRGPIDOYOCNDO-UHFFFAOYSA-N 488.442 1.664 50 10 JDGE C/C(=C\C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1cnccn1 1463677774 YWJFPOQRDMEILQ-FOWTUZBSSA-N 451.508 1.820 50 10 JDGE Cc1ccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1B(O)O 2268631703 BMQLLYBAVWOLDA-DEOSSOPVSA-N 453.348 1.783 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2ccc(B(O)O)cc2C1 2268701390 PIKVOSBDGXUNJI-NRFANRHFSA-N 454.332 1.361 50 10 JDGE CN(C[C@@]1(Oc2ncc(B(O)O)cn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2270912680 NGEAGWQWVPHWGJ-QHCPKHFHSA-N 456.352 1.437 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(B(O)O)cn2C2CC2)C1 2281694595 DCSWFNOSWPXGFD-UHFFFAOYSA-N 469.347 1.127 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(N)=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 2296849790 UFNOGMROBMXWCI-UHFFFAOYSA-N 472.505 1.446 50 10 JDGE O=C(NNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-])c1ccc(F)cc1 40657949 WMBYLKRISADZRO-UHFFFAOYSA-N 456.350 1.946 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(CBr)CCOC1 2000539372 KRSJBTAUGPHUOF-IAGOWNOFSA-N 463.325 1.484 50 10 JDGE OB(O)c1c(I)cc(I)cc1OC(F)(F)F 2060037037 VQCBWOVQUNFFTE-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 2314109215 NRRRZCISUZNHPD-GOSISDBHSA-N 452.536 1.779 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Oc2ccc(B(O)O)cc2C#N)C1 2339369973 XCTFWRNVPSXTGR-UHFFFAOYSA-N 461.324 1.473 50 10 JDGE Cc1ccc2c(c1)/C(=N\NC(=O)CCCC(=O)N/N=C1/C(=O)N(C)c3ccc(C)cc31)C(=O)N2C 100869969 NOUZLBUVHJOXOQ-UFSUQUSASA-N 474.521 1.767 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1OC 254304475 YCRLBXXFHZSDSY-ZDUSSCGKSA-N 469.506 1.388 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)c1OC(C)=O 254346293 FHCOPNNKXIXEHT-CYBMUJFWSA-N 497.516 1.305 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c1O 254722257 OXBVEDAGAKYYBJ-UHFFFAOYSA-N 465.386 1.286 50 10 JDGE C#CCN(C)CCCNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1681597727 DKOHJZMYDUWJOZ-UHFFFAOYSA-N 457.556 1.064 50 10 JDGE CO[C@@H]1C[C@H](Br)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046666680 BZGDQJURUXIRNU-JCGVRSQUSA-N 477.352 1.825 50 10 JDGE CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(CBr)oc2Br)C1 2179915544 ZUVWJQAKMLNIKG-QMMMGPOBSA-N 451.158 1.745 50 10 JDGE CC(C)(C)OC(=O)NCCCN1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2234449387 DUWGFGWSTZAKEZ-UHFFFAOYSA-N 469.446 1.623 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N=c1ccc(Cl)c(B(O)O)[nH]1 2256614702 OVXRFZLMAIYPRQ-HNNXBMFYSA-N 463.727 1.275 50 10 JDGE COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(C)C(=O)C(C#N)=C3C)cc2)nc(OC)n1 2297532068 MKCMPGYTZVIABH-UHFFFAOYSA-N 484.494 1.429 50 10 JDGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)c1 10276322 KUZWACVVPDKWLB-UHFFFAOYSA-N 472.567 1.834 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(OCCBr)C1 2000538472 HLHJACAYGVVFLB-QGZVFWFLSA-N 463.325 1.436 50 10 JDGE COc1cc(C=CC(=O)O)cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1OC 2040454335 POGFXHHRYCGEDS-UHFFFAOYSA-N 450.425 1.154 50 10 JDGE OB(O)c1cc(OC(F)(F)F)cc(I)c1I 2060036111 ZDCHMVYIXMQFOU-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE CC(C)(C)OC(=O)NCCC1(O)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2163051375 SNPXBOOCRJQKLM-UHFFFAOYSA-N 470.430 1.832 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B(O)O)c1 2256624286 UURYNIBDZZSRJM-KXBFYZLASA-N 462.377 1.885 50 10 JDGE COc1cc(C=NNC(=O)CNc2nnc(O)nc2O)cc(Br)c1OC(C)C 2323201785 PRPMAHAAPDODPW-UHFFFAOYSA-N 455.269 1.403 50 10 JDGE NC(=O)COc1ccc(C=NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 13139740 TZPRSIIPVDQEPD-SFHVURJKSA-N 464.931 1.508 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(S(C)(=O)=O)cc1 1135533303 IGWCZABDDXDTJO-QFIPXVFZSA-N 456.524 1.313 50 10 JDGE COC[C@@H](Br)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539428 ALJQXJVOYBMYDB-SJCJKPOMSA-N 465.341 1.730 50 10 JDGE COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)C(C#N)=C(C)N)cc(OC)c1OC 2040426057 KUKYCTYGUDPNEP-HNNXBMFYSA-N 465.528 1.432 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)c(B(O)O)c2)C1 2255885151 LFUPBILXFRRXPG-UHFFFAOYSA-N 464.324 1.316 50 10 JDGE Cc1cc(/C=N/NC(N)=O)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 36312462 HQTCRYUDZYKJCT-BUVRLJJBSA-N 474.587 1.717 50 10 JDGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC 253318918 HEZFBCVOJKGOHH-USSWQLSGSA-N 464.588 1.339 50 10 JDGE CCOC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21 254316302 AIRWXFMKEHIZOB-PVYWFCJDSA-N 464.478 1.255 50 10 JDGE C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1nn(Cc3ccccc3)c(=O)c3ccccc13)CS2 904220571 CZRQGOKJESTUQZ-KOSHJBKYSA-N 477.546 1.660 50 10 JDGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)cc1 1674110377 YYVCXVIBEYUZFZ-ZMYBRWDISA-N 454.487 1.667 50 10 JDGE C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccccc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860772068 QAQCOIHFZTYMCG-KGLIPLIRSA-N 467.551 1.721 50 10 JDGE O=C(NOCCCNC(=O)c1ccc(B(O)O)o1)OCC1c2ccccc2-c2ccccc21 2243356359 GNFHCXSPRVPYTB-UHFFFAOYSA-N 450.256 1.550 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B(O)O)c1 2256628620 KPQSUFTYFAIPCY-GOSISDBHSA-N 461.393 1.412 50 10 JDGE CCOc1cc(/C=N\NC(=O)c2cc(C)nn2-c2nnc(C)c(=O)[nH]2)cc([N+](=O)[O-])c1OC 169921347 NNOZGZZPKSZIBP-UKWGHVSLSA-N 456.419 1.047 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(OCCBr)CC1 707385809 BBHVFKSXRTZVQW-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE CCC/C(C)=C\C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 920283996 BIWANWKONKJMES-VBKFSLOCSA-N 452.515 1.322 50 10 JDGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1538484592 RIGAVWIHOQVUMC-HXUWFJFHSA-N 457.575 1.653 50 10 JDGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1633191444 KEMCURUMVCVWKG-HNNXBMFYSA-N 452.943 1.876 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2000543540 NEXGBWFHKWUTON-ZXFNITATSA-N 459.337 1.913 50 10 JDGE Cn1nc(Br)cc1S(=O)(=O)N1C[C@H](Br)[C@@H](Br)C1 2019466383 MCAHCAYCCFNBGJ-WDSKDSINSA-N 451.966 1.714 50 10 JDGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179826615 UXLOJUMCCDDRDH-QYZOEREBSA-N 458.422 1.923 50 10 JDGE CO[C@H]1[C@@H](CCl)N(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1OC 2233353426 GWOXAMFFXABAPX-KURKYZTESA-N 458.964 1.736 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B(O)O)cccc21 2268634990 MIWUBCXOTLSIMO-IERDGZPVSA-N 454.332 1.754 50 10 JDGE CCc1nc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(B(O)O)s1 2281631406 UWXPPJCFOREXJL-QGZVFWFLSA-N 488.419 1.237 50 10 JDGE O=C(CN1C(=O)C(=NNC(=O)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21)Nc1ccccc1 2297201508 TWAMAPWVLWQPEI-UHFFFAOYSA-N 485.456 1.829 50 10 JDGE C/C(=N/NC(=O)Cc1cn2ccsc2n1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 59541244 OBDWSDQEDPIJTE-XKZIYDEJSA-N 463.541 1.622 50 10 JDGE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)C1 728203016 FDDQESDJGYFQME-OAHLLOKOSA-N 458.544 1.380 50 10 JDGE C#CC[C@]1(C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1558446810 CIECYNYTHSZCDC-IVZQSRNASA-N 450.536 1.936 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNc1cccc2c1OC(F)(F)O2)c1ccc(S(C)(=O)=O)cc1 1641364623 KEFCUNPVEWKPRQ-SFHVURJKSA-N 455.439 1.906 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)OCC12CC2 2127556861 YPBVFAOGHZMQBV-FZKQIMNGSA-N 489.363 1.969 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(c2ncc(Br)cc2B(O)O)C[C@@H]1C(F)(F)F 2240341454 MAUWEBYXKNIUQA-GXSJLCMTSA-N 454.052 1.416 50 10 JDGE C[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256622883 MVRRDJIFJHDVNX-DNVCBOLYSA-N 461.393 1.630 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 16693760 YAZCAPVGFKLPKI-YZLQMOBTSA-N 456.462 1.956 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 254352028 XIAKOUPYHNKVHK-LBPRGKRZSA-N 468.478 1.669 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(F)cc2F)c1-c1ccc([N+](=O)[O-])cc1 254415132 QQWAYAXXFWILBT-UHFFFAOYSA-N 455.341 1.850 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=S)Nc2ccc(N(C)C)cc2)cc1F 1637299026 GGIMAPBQUKZMJA-UHFFFAOYSA-N 452.533 1.886 50 10 JDGE CN1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H](CBr)C1 2046021584 CNOIGBVBWVQBSN-ACJLOTCBSA-N 476.368 1.352 50 10 JDGE CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NC[C@@H](Br)CBr)c1 2172982702 NEXVCXKJYYVAPP-ZETCQYMHSA-N 453.149 1.666 50 10 JDGE CC(C)(C)OC(=O)NCCC1(Oc2ncc(B(O)O)cn2)CCN(Cc2ccccc2)CC1 2231665747 XUZWFGRPDZAWAW-UHFFFAOYSA-N 456.352 1.485 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)c1ccc(F)c(Br)c1 2232138063 NQJCBSBCFZWSBC-VIFPVBQESA-N 466.066 1.843 50 10 JDGE Cc1ccc(B(O)O)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2281734326 PKDVLRMSAICVRX-FQEVSTJZSA-N 467.375 1.526 50 10 JDGE Cn1nc(Br)c(Br)c1C(=O)NCCS(=O)(=O)CCBr 2338673418 LHMALAWANVXEIO-UHFFFAOYSA-N 481.992 1.485 50 10 JDGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccccc2OC)cc1 12571640 WDHWEVNSUKNNNG-UHFFFAOYSA-N 474.539 1.914 50 10 JDGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623559 NAUZMYPFHWAAAR-SFHVURJKSA-N 470.551 1.396 50 10 JDGE O=C(CCCCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc([N+](=O)[O-])c1 100034506 SDNLRCSUKLIQJV-UHFFFAOYSA-N 472.414 1.286 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C)cc1CSc1nnc(C)s1 254579091 MUQMYLWMMCFVDR-UHFFFAOYSA-N 486.543 1.766 50 10 JDGE CO[C@@H]1C[C@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1906686925 ZTVNFWAORWNSSD-ZIAGYGMSSA-N 459.362 1.877 50 10 JDGE Cc1sc(Br)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Br 2121367147 FRWPMLPNEFFXRQ-BQBZGAKWSA-N 453.199 1.658 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2[C@@H]1CO 2235559096 VFHMNWDGYPEZOG-CFVMTHIKSA-N 468.414 1.250 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B(O)O)ccc1Cl 2281698043 AVWFJGXTCOVFDE-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE CC(C)(C)OC(=O)NCC(F)(F)C(F)(F)COc1ncc(Br)cc1B(O)O 2361872352 HMJZEFDDUYBANL-UHFFFAOYSA-N 461.015 1.698 50 10 JDGE O=C(CCC(=O)OCCc1ccccc1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623468 JUIJGHASTOJSRD-HXUWFJFHSA-N 496.589 1.623 50 10 JDGE COc1ccc(NC(=S)NNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cn1 729692193 NUQHSBZOXIYOQT-UHFFFAOYSA-N 478.328 1.857 50 10 JDGE COc1c(Br)cc(C=NNC(=O)CN2CCOCC2)cc1I 1084553849 UUHHBAJJDOVKTN-UHFFFAOYSA-N 482.116 1.845 50 10 JDGE OB(O)c1cc(OC(F)(F)F)c(I)cc1I 2060036047 XROGOISIHWZATE-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE NNC(=O)[C@H]1CC[C@](F)(Cn2cnc(I)c2I)CC1 2122078080 BNQNUTLCKDOXBC-DGFRNANFSA-N 492.074 1.981 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CCO[C@@]2(CBr)C1 2217080179 GMSZUINKHYQLHX-ACJLOTCBSA-N 457.346 1.488 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(B(O)O)s2)C1 2255723025 WVECFQQPJHPSHK-KRWDZBQOSA-N 459.377 1.279 50 10 JDGE Cc1cc(S(=O)(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)ccc1B(O)O 2255753880 XESPFOLJJWXIKK-UHFFFAOYSA-N 464.349 1.322 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)s1 2256626737 NMHOWXVVPLCOEU-DNVCBOLYSA-N 462.377 1.851 50 10 JDGE CN(C)CCN(C=C(C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 2325255226 HHROEEOGQZYQGB-OAHLLOKOSA-N 455.924 1.645 50 10 JDGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40658120 NTVHDXYFJLYHFB-UHFFFAOYSA-N 468.386 1.572 50 10 JDGE CC(C)C(=O)Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)c2[nH]1 199942202 RUKACXRBRJHKDV-BFPDHSSHSA-N 467.599 1.355 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(F)ccc2F)c1-c1ccc([N+](=O)[O-])cc1 254869466 JENIIDJFRNQFGB-UHFFFAOYSA-N 455.341 1.850 50 10 JDGE O=C(NN=Cc1ccc2ccccc2n1)[C@@H](O)[C@H](O)C(=O)NN=Cc1ccc2ccccc2n1 1084568201 CXBFGFJKXOHMCE-VXKWHMMOSA-N 456.462 1.105 50 10 JDGE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C 1540260154 MIVMYHWWRIWPTL-ZDUSSCGKSA-N 454.955 1.681 50 10 JDGE COCCCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)cc2C1=O 1873777973 YBGRYHRQEYWUCS-KRWDZBQOSA-N 465.510 1.710 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]2COC[C@H]12 2106773441 LEYKITLDBBSOQC-MGPQQGTHSA-N 454.387 1.314 50 10 JDGE Cc1cnc(O[C@@]2(CN(C)C(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1B(O)O 2231639744 SYQDLOBKOVHTOG-XMMPIXPASA-N 455.364 1.960 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(Br)cc2B(O)O)C[C@@H]1C(F)(F)F 2240341460 MAUWEBYXKNIUQA-ONGXEEELSA-N 454.052 1.416 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCCc2cc(B(O)O)ccc21 2268720306 SOEQGHJWSZYSFX-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE Cc1sc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(B(O)O)c1C 2281787923 UDRNWBSOMOOCLT-LJQANCHMSA-N 487.431 1.896 50 10 JDGE COc1ccc(S(=O)(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2282733651 YXJFENMERDMICO-UHFFFAOYSA-N 492.359 1.117 50 10 JDGE NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(I)cc1 35669619 KJASJTZMHAMKOH-MRXNPFEDSA-N 484.319 1.652 50 10 JDGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 729298509 KGVFSPNRHXKJGL-GOSISDBHSA-N 451.508 1.127 50 10 JDGE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 1446930690 VBBSAEBXOKCAPF-QGZVFWFLSA-N 458.378 1.349 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1977069257 CUMAUGVUPCNAKG-MGPQQGTHSA-N 453.298 1.630 50 10 JDGE Cc1c(B(O)O)csc1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2255778592 TWOMHQSBMYKNOZ-UHFFFAOYSA-N 460.361 1.361 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)CO[C@H]1C2 2266547615 UWFHEWJQBYYUOV-XEZPLFJOSA-N 454.387 1.505 50 10 JDGE CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C=C(C#N)C(=O)NCCOC)o2)cc1 2297552340 PEQXCWNKLGUSNT-UHFFFAOYSA-N 468.466 1.381 50 10 JDGE O=S(=O)(CCBr)CCNS(=O)(=O)c1ccc(F)cc1Br 2360911848 VFZPJRILRXEKKI-UHFFFAOYSA-N 453.149 1.676 50 10 JDGE COc1cc(/C=N/NC(=O)[C@H](C)Sc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1 169890586 RFFIUGRKSPDARO-YSRRJJCPSA-N 455.496 1.677 50 10 JDGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)c3cc(C)oc3C)nnc12 913419294 WQMNDHJSZAQHEF-UHFFFAOYSA-N 452.496 1.993 50 10 JDGE C=C[C@](C)(O)C(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1135555303 ULRKGPHSGJWQRB-QFIPXVFZSA-N 456.524 1.868 50 10 JDGE CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)OCC(=O)C(C#N)=C1N=c2ccccc2=N1 1615011827 YAWYCIWFQUKTPL-HXUWFJFHSA-N 486.937 1.443 50 10 JDGE COc1ccc(NC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1 2268709098 BDQRMAANAQZARR-QGZVFWFLSA-N 458.320 1.814 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(N)=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297643073 GFJQQPYCTIQFPJ-TUWADQJNSA-N 461.559 1.353 50 10 JDGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 13997402 CIUPQLYBNSZTLE-UHFFFAOYSA-N 493.323 1.669 50 10 JDGE COc1cc(OC)c(OC)cc1C=NNC(=O)C(=O)NN=Cc1cc(OC)c(OC)cc1OC 254305196 FOWLLGJBAIQLHD-UHFFFAOYSA-N 474.470 1.339 50 10 JDGE COc1cc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OCC(=O)O 254417857 YHSKZIFXGPLPJC-UHFFFAOYSA-N 465.426 1.291 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COCC[C@@H]1Br 710860709 ZEDRPAASRWWSCJ-LSDHHAIUSA-N 459.362 1.781 50 10 JDGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 730936043 HRPVLSNKAPRWIE-DAQNXSASSA-N 450.543 1.799 50 10 JDGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CB(O)O)C(=O)O 1984692331 MRWQZXYTDRBIBK-WOJBJXKFSA-N 454.288 1.592 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(F)cc1I 2121336645 IAPWTAIXYDKENW-WPRPVWTQSA-N 462.078 1.721 50 10 JDGE Cc1[nH]nc(S(=O)(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1CBr 2179817444 PMDFYJAFWMKMDA-IAGOWNOFSA-N 455.378 1.887 50 10 JDGE CN(CCN(CC(F)(F)F)c1ncc(Br)cc1B(O)O)C(=O)OC(C)(C)C 2240341143 JEICTFQCTLGGQD-UHFFFAOYSA-N 456.068 1.760 50 10 JDGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240342294 SCJSLDUEVUVKLO-VUAWTODMSA-N 462.175 1.557 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccoc2B(O)O)CCN(Cc2ccccc2)CC1 2266882421 UYQSPAVVLPZWJT-UHFFFAOYSA-N 457.336 1.249 50 10 JDGE Cc1cc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)ccc1B(O)O 2289492291 LFIROAQQGXRFTA-VWLOTQADSA-N 467.375 1.460 50 10 JDGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC 254441136 DQEBYTNQHOBOTC-UHFFFAOYSA-N 465.484 1.765 50 10 JDGE N=C1N=C([C@@H]2CCNC(=O)C3=NC(Br)=C(Br)[C@H]32)[C@H](Br)N1 604933995 BNSZOWGZZQSFNA-DASPXTJNSA-N 467.947 1.852 50 10 JDGE C#CCC(C)(C)C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1182184353 WMODHLCOGJQMSK-INIZCTEOSA-N 451.545 1.150 50 10 JDGE CC(=O)N(CC(=O)NNC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 1465797352 YBZXBTNBXWHXCU-UHFFFAOYSA-N 457.962 1.658 50 10 JDGE C[C@H]1CO[C@@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942094569 GTCPCYNBMSPJTI-KBPBESRZSA-N 459.362 1.877 50 10 JDGE O=C(NOCCCNC(=O)c1cc(B(O)O)co1)OCC1c2ccccc2-c2ccccc21 2244223538 WVIXXCWLSNALGC-UHFFFAOYSA-N 450.256 1.550 50 10 JDGE O=C(NC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1)OCc1ccccc1 2282367313 AKWMTLLYLSSVQO-AWEZNQCLSA-N 472.781 1.408 50 10 JDGE N#CC(=CN1CCN(CCN)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324603000 OMJZWWMUDIAIRZ-UHFFFAOYSA-N 458.610 1.904 50 10 JDGE O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1 1317731824 IGDCWUSGQUCQPK-UHFFFAOYSA-N 474.358 1.606 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2079095992 DLFQZRKHHFPQOW-RRQGHBQHSA-N 471.373 1.877 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c21 2268649471 CURFSRRONKFERN-HXUWFJFHSA-N 453.348 1.281 50 10 JDGE O=S1(=O)C[C@H]2CN(S(=O)(=O)c3cc(CBr)sc3Br)C[C@@H]21 2361659862 WOUACOJTNFHOLO-MUWHJKNJSA-N 465.210 1.823 50 10 JDGE COc1cc(/C=N/Nc2nc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)c([N+](=O)[O-])cc1O 59881589 WAEKRQDDPAVIOQ-VFKKPVCESA-N 478.491 1.301 50 10 JDGE O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770865 AKUXSQQGAICOOP-UHFFFAOYSA-N 487.497 1.569 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(B(O)O)s1 2255465042 FEQKDXVLQJQFMG-UHFFFAOYSA-N 471.385 1.356 50 10 JDGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 2313892711 BEZSRVPEWGEQFQ-CQSZACIVSA-N 457.468 1.272 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2scc(B(O)O)c2C1 2336500765 DVFTZGDAYRFFEE-QGZVFWFLSA-N 474.388 1.813 50 10 JDGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc3c(c2)OCO3)nnn1-c1nonc1N 254290773 LIUADCNHIFZXMW-LBPRGKRZSA-N 453.463 1.100 50 10 JDGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1[N+](=O)[O-] 263626646 QJGZNXXUNCRUQE-LBPRGKRZSA-N 498.504 1.678 50 10 JDGE COC(=O)c1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 1084102486 XNTXLIYBAWSURZ-UHFFFAOYSA-N 471.474 1.730 50 10 JDGE CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 1445566640 QQKABQKKEKPRDT-FQEVSTJZSA-N 452.555 1.930 50 10 JDGE C#CC[C@@]1(C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)CCCN1C(=O)OC(C)(C)C 1556767017 ZVZHNFDRVUWFCW-MWTRTKDXSA-N 454.483 1.378 50 10 JDGE CC(=O)N1CCc2c(NC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)cccc21 1669124419 MJWHDWFOPRLLKE-UHFFFAOYSA-N 450.543 1.961 50 10 JDGE COCCN(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540480 FOIAIJMNQQNKHW-KRWDZBQOSA-N 465.341 1.684 50 10 JDGE COc1cc(C=C2SC(=S)N(CC(=O)NNC(=O)c3ccncc3)C2=O)cc(OC)c1OC 2053515418 SEMDUPMSZUDKBD-UHFFFAOYSA-N 488.547 1.770 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ncccc2B(O)O)C1 2124520005 PUHARDAOAQITIW-QHCPKHFHSA-N 455.320 1.544 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(F)c1B(O)O 2268646030 RSOWAWQXFBLZGN-QGZVFWFLSA-N 463.290 1.608 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)cc1 2268654463 ZSLDVLQDOBYZNX-LAUBAEHRSA-N 456.348 1.823 50 10 JDGE Cc1cc(B(O)O)c(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1Cl 2281596447 YMYCASPDGMNADN-UHFFFAOYSA-N 499.801 1.820 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc2C1 2283963316 KZAOVROIHAQKNP-QFIPXVFZSA-N 467.375 1.276 50 10 JDGE CCNNC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@@H](O)[C@H]1CO)OCO3 254127892 CPTIBDHUFVHUJK-QWIYEXKTSA-N 474.510 1.485 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(S(C)(=O)=O)cc1 1467429274 GVQGCKMMDUQUDQ-IBGZPJMESA-N 454.455 1.573 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@@H](OCCBr)C1 2003871791 HCTKWTICKLVOPU-CQSZACIVSA-N 459.362 1.878 50 10 JDGE CN([C@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)N1CCC(Br)CC1 2106776903 NBNQKDDEVDMHQH-INIZCTEOSA-N 456.403 1.706 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)Cc2ccsc2B(O)O)C1 2255948415 LXXUPNFVPGNJKR-UHFFFAOYSA-N 482.389 1.311 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCOc1ccc(C=O)c(B(O)O)c1)C(=O)OC(C)(C)C 2317312900 OLGNTCMSOPKHEH-UHFFFAOYSA-N 452.313 1.320 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1OC 254304474 YCRLBXXFHZSDSY-CYBMUJFWSA-N 469.506 1.388 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 254813770 FGGHUNKEGQKMPB-UHFFFAOYSA-N 458.398 1.833 50 10 JDGE CC(=O)CCc1ccc(OCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 1350638104 MJZPODKROOMTSF-UHFFFAOYSA-N 452.555 1.947 50 10 JDGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cn(C)cc(Br)c2=O)cc1 1562603104 REPMFCATZASHAR-LLVKDONJSA-N 451.277 1.971 50 10 JDGE CN(C)C[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545087 QWEHOUJBBMEQLI-SJKOYZFVSA-N 464.357 1.255 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@H]1Br 2025827598 XSQBXFXGFFLHBT-GJZGRUSLSA-N 457.346 1.677 50 10 JDGE O=C(NOCCCNC(=O)c1coc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2243408229 JNGFCVQDXYOECE-UHFFFAOYSA-N 450.256 1.550 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2260670034 UAHADXVHSSYQBS-ZQIUZPCESA-N 471.373 1.877 50 10 JDGE COc1cc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2267396141 NJEDRUWRQCTOTI-UHFFFAOYSA-N 490.321 1.965 50 10 JDGE N#C/C(=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)N1CCOCC1 33933804 ALEYDWCOEOVOKC-ZZEZOPTASA-N 470.533 1.787 50 10 JDGE O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 96652875 ONOOAFAZLWEXIC-FLIBITNWSA-N 481.534 1.572 50 10 JDGE CCCN1C(=O)C(=NNC(=O)CC(=O)NN=C2C(=O)N(CCC)c3ccccc32)c2ccccc21 254438594 BFOSFUWWQCSCNT-UHFFFAOYSA-N 474.521 1.931 50 10 JDGE CCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)cc1 254483462 GRBPTVKPEXVRHD-UHFFFAOYSA-N 453.507 1.771 50 10 JDGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)NCC(=O)O)cc1 767326536 GDKJKANDNCMVSA-UHFFFAOYSA-N 457.306 1.305 50 10 JDGE COc1cc(C=NNC(=O)CCCSc2nnc(-c3cccnc3)n2N)c([N+](=O)[O-])cc1O 1084536871 JACMNJALYDKNFV-UHFFFAOYSA-N 472.487 1.699 50 10 JDGE COc1c(Br)cc(Br)cc1C=NNC(=O)Cn1c(C)cc(=O)c2nncn21 1084571506 HIRIMZLJJMLBEK-UHFFFAOYSA-N 498.135 1.883 50 10 JDGE CC(C)/C=C(/C#N)C(=O)N1CCCCOC[C@H](O)[C@@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1 1615118962 KBDQXMKBRIBRMO-ZIGPWUKKSA-N 491.560 1.096 50 10 JDGE CC(C)(C)OC(=O)N1CCCO[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2106297617 YOCBKCUGMGMKBB-AWEZNQCLSA-N 456.403 1.706 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](Oc2ncc(Br)cc2B(O)O)(C(F)(F)F)C1 2240336731 RMGGJJDWPZMNRG-AWEZNQCLSA-N 455.036 1.845 50 10 JDGE Cc1ccc(B(O)O)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2281734328 PKDVLRMSAICVRX-HXUWFJFHSA-N 467.375 1.526 50 10 JDGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 13997478 ISWFCBPVWGLLER-UHFFFAOYSA-N 460.350 1.892 50 10 JDGE CCN(CC)S(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)OC)cc2)c1 15243466 QXAMBJQBDNEJGD-UHFFFAOYSA-N 469.541 1.127 50 10 JDGE COc1ccc(OC)c(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c1 254852359 XAOFRDCKZCBMAZ-UHFFFAOYSA-N 479.413 1.589 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc(OC)c1OC(C)=O 254861900 JRBOSZURFQYAPR-UHFFFAOYSA-N 458.435 1.062 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCOC[C@H]1Br 706726661 GJHWOCVFMZSBPC-CABCVRRESA-N 459.362 1.781 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)s1 1463595968 KTGANQIDQHIAIX-OAHLLOKOSA-N 451.570 1.987 50 10 JDGE O=C(O)CCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858959704 RSCBEEZHHPGVJK-UHFFFAOYSA-N 469.403 1.692 50 10 JDGE O=C(N1C[C@H]2CC[C@H]1[C@H]1CN(S(=O)(=O)CI)C[C@H]21)C(F)(F)F 1983328448 XKOCYXSRDQRBMQ-IMSYWVGJSA-N 452.236 1.440 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@H](CCBr)C1 2005061266 SMHPUTNRJIIZRQ-CQSZACIVSA-N 459.362 1.878 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 2177845718 IIPTXKHMJVKRNR-VXNVDRBHSA-N 467.588 1.941 50 10 JDGE C[C@@]1(NS(=O)(=O)c2ccc(Cl)c(B(O)O)c2)CCN(C(=O)OCc2ccccc2)C1 2282378475 GVMSZRIEZYRNLH-LJQANCHMSA-N 452.725 1.099 50 10 JDGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630329 DBFYCTWIBXOJRJ-GPAKFWEMSA-N 457.468 1.272 50 10 JDGE O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1nonc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 1084435400 HTYJZVWOCOOOQG-UHFFFAOYSA-N 452.343 1.414 50 10 JDGE C=C[C@H](CO)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1148559633 TXRCBOYCGJLOER-RKCSUWQLSA-N 458.316 1.758 50 10 JDGE CC(=O)N1CCc2cc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)ccc21 1309993859 BYRRZWVLCXJZJR-UHFFFAOYSA-N 459.528 1.377 50 10 JDGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1860771020 GMYPROBDXRHSQI-UHFFFAOYSA-N 472.439 1.614 50 10 JDGE CC1(C)[C@@H](CBr)OCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1997291544 ULKOLVCMCLRXSB-OAHLLOKOSA-N 459.362 1.877 50 10 JDGE CC(C)(C)OC(=O)N1CC(N2CCC(CNS(=O)(=O)CI)CC2)C1 2022774888 BKFOSGVSAXVKRN-UHFFFAOYSA-N 473.377 1.630 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@H](OCCCBr)C1 2026090667 IMNPKQVWSSJQLP-CQSZACIVSA-N 459.362 1.878 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1COC[C@@H]1Br 2048706248 KUOXENKCAULKGT-QITLCBANSA-N 477.352 1.730 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H](CO)C1 2116268301 JBOXXEVNTJFCNW-TZMCWYRMSA-N 456.403 1.298 50 10 JDGE O=C(NCCS(=O)(=O)CCBr)c1ccc(F)cc1I 2335772589 GEYNNXOTISGHQJ-UHFFFAOYSA-N 464.094 1.970 50 10 JDGE COc1cc(/C=C(/C#N)C(N)=O)ccc1OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 206490017 FEELFGOUVGWPGL-LCYFTJDESA-N 464.390 1.587 50 10 JDGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC 217173420 HEZFBCVOJKGOHH-KKJHOPATSA-N 464.588 1.339 50 10 JDGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC)c(OC)c2C(=O)O)cc(OC)c1OC 254490293 VPFKJHXBGVVDCG-UHFFFAOYSA-N 475.454 1.308 50 10 JDGE CN(C)S(=O)(=O)CCC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1 312226904 CNEYPWUYMGVVMO-JTQLQIEISA-N 455.234 1.479 50 10 JDGE Nn1c(SCC(=O)NN=Cc2ccccc2F)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084657387 CCWPWCJSGGTLIS-UHFFFAOYSA-N 460.407 1.857 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@@]12CCOC2 2162589711 TUSHAKGNVMRJMO-WMLDXEAASA-N 468.414 1.849 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCc2cc(B(O)O)ccc2F)C1 2284137732 RVXLBAYOZIQTOQ-UHFFFAOYSA-N 472.322 1.576 50 10 JDGE CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 38599480 PXMZUZLKVZKKHK-VKJFTORMSA-N 494.705 1.198 50 10 JDGE in-vitro COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1 1080323682 IIKMQABIZDZUNE-SFHVURJKSA-N 478.555 1.471 50 10 JDGE CN(C)C[C@H](Br)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046026301 PYCBJDPZPRMHLB-UGSOOPFHSA-N 478.384 1.598 50 10 JDGE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=Nc2ncc(Br)cc2B(O)O)CC1 2240345417 RXUCDVBAZZOVSW-HHHXNRCGSA-N 462.175 1.653 50 10 JDGE O=C(NC[C@H](NC(=O)c1cc(B(O)O)c(Cl)s1)C(F)(F)F)OCc1ccccc1 2267424981 JGLLLBDOUIEERS-LBPRGKRZSA-N 450.631 1.668 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B(O)O)cccc21 2268653397 MIWUBCXOTLSIMO-HRAATJIYSA-N 454.332 1.754 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268708128 XOGCCAYDVRTLBT-DOTOQJQBSA-N 477.392 1.843 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(B(O)O)c(F)c1 2282238865 MTLLOJLPYZAGQZ-UHFFFAOYSA-N 483.346 1.434 50 10 JDGE COC1(CCNC(=O)c2cc(B(O)O)c(Cl)s2)CN(C(=O)OCc2ccccc2)C1 2282436408 LYFZMQYYFQXEHF-UHFFFAOYSA-N 452.725 1.239 50 10 JDGE Cn1nc(Br)c(Br)c1CNS(=O)(=O)N1CCC(Cl)CC1 2364430211 SIIAZTWEKBGHRL-UHFFFAOYSA-N 450.584 1.983 50 10 JDGE Cc1ccc2c(c1)/C(=N/NC(=O)CCC(=O)N/N=C1/C(=O)N(C)c3ccc(C)cc31)C(=O)N2C 38180183 PYEUUSBONZXNLT-KKTFQPMKSA-N 460.494 1.377 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCN2CCOC[C@@H]2C)cc1 729385499 HMDCFBQCGYQQCS-NFBGKYEXSA-N 466.542 1.178 50 10 JDGE O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)c1cccc(Cl)c1 760910159 BAWQZFWPSBFFLF-UHFFFAOYSA-N 479.942 1.745 50 10 JDGE C#CCCCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1657892981 ADQHQCYSYNXIPN-OAHLLOKOSA-N 450.517 1.217 50 10 JDGE COC[C@@]1(CNS(=O)(=O)CI)CCCN(C(=O)OC(C)(C)C)C1 1983326970 HGXQFCXKLJKGSX-CQSZACIVSA-N 462.350 1.962 50 10 JDGE COC(=O)[C@@H](Br)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106588270 VRFBEWCRXFVZHW-GWQKEKGPSA-N 457.391 1.335 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CCC(CCl)CCl)[C@H](S(C)(=O)=O)C1 2192675036 CQJVMFWQVDKYDV-CHWSQXEVSA-N 467.437 1.422 50 10 JDGE O=C(CCCBr)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 11796422 XZFOBYHYVFWYAY-UHFFFAOYSA-N 450.374 1.959 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(OC)cc1 33691149 RRAGSKZXPTWQCU-GANRHZMWSA-N 494.554 1.171 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 206610520 JGJNOWPDKCJQGE-WDZFZDKYSA-N 472.479 1.886 50 10 JDGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 216787683 XWQZSTJGKUPSAI-AINHQSCGSA-N 455.378 1.846 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccccc2C(=O)O)nnn1-c1nonc1N)C1CCCCC1 254614941 IOCFBERNEBRWIA-UHFFFAOYSA-N 467.490 1.459 50 10 JDGE COc1ccc(O)c(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 1084160141 HYENFJVZBMREKK-UHFFFAOYSA-N 488.442 1.432 50 10 JDGE C=CCCCNC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1227704618 VPUCKPQTLGDOLW-MRXNPFEDSA-N 454.549 1.249 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccccc2B(O)O)C1 2255671883 XXXZHOJMVVPXMF-UHFFFAOYSA-N 462.333 1.108 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2c(Cl)cccc2B(O)O)C1 2267621094 DDBMAQBYUGQNTR-UHFFFAOYSA-N 496.778 1.762 50 10 JDGE CN(Cc1ccc(B(O)O)s1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268632835 OAXZTCXQSBBCMN-HSZRJFAPSA-N 473.404 1.556 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 2282373608 OTNQTUSODNHDAM-UHFFFAOYSA-N 452.363 1.063 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cccc(Cl)c2B(O)O)C1 2287643986 KYNBCBHZSJMJFT-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE Cn1ncc(C(=O)NN)c1COc1cc(Br)cc(I)c1 2364067615 XATOUKJSTOOJLG-UHFFFAOYSA-N 451.062 1.970 50 10 JDGE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 21204382 RGTQEBBDGLPRJI-LJQANCHMSA-N 489.594 1.987 50 10 JDGE OB(O)c1c(I)cc(Br)cc1I 2059984920 JSNMSAPKEXFITR-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNc1ncccc1Br)c1ccc(S(C)(=O)=O)cc1 1649162695 MVSWHBVVSAZDET-QGZVFWFLSA-N 455.334 1.742 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCOCCBr 1978682308 RJDXCOPCRQHDBR-INIZCTEOSA-N 451.314 1.342 50 10 JDGE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106304941 KHEFPGPYTBTPTJ-ZIAGYGMSSA-N 456.403 1.705 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2121586596 GDNFQLQNANOUDF-XKQJLSEDSA-N 485.400 1.980 50 10 JDGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2243662607 BSEPJGAPMJIJDY-KGLIPLIRSA-N 465.340 1.927 50 10 JDGE Cn1cnnc1SCc1c(C(=O)NN=Cc2ccccc2C(F)(F)F)nnn1-c1nonc1N 254685536 XFEGBUXSLYVDRQ-UHFFFAOYSA-N 493.435 1.436 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 748279395 IPLHOOZNHUJJGD-FPOVZHCZSA-N 471.535 1.584 50 10 JDGE COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872963020 YLLLROKTYNCCNW-UXHICEINSA-N 465.554 1.863 50 10 JDGE CO[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C1 2115830737 GQDALCGDYOOKAQ-UONOGXRCSA-N 456.403 1.705 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OCC[C@@]2(CBr)C1 2264256434 RJZKXRANINWAMJ-QFBILLFUSA-N 471.373 1.878 50 10 JDGE C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cscc1B(O)O 2268632087 GIPBBRGHUIDAEY-QMHKHESXSA-N 473.404 1.775 50 10 JDGE COC[C@@]1(CBr)C=CCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2306859266 NYCNWJNEYZQGFS-SFHVURJKSA-N 457.346 1.654 50 10 JDGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccc(O)cc1O 1084567139 UZIDUJAEGAADQG-UHFFFAOYSA-N 487.410 1.711 50 10 JDGE C[C@H](C(=O)NNC(=O)CNC(=O)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771790 IBAHENDOPFLZDV-CYBMUJFWSA-N 453.524 1.475 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 2177842069 ABRVNZWCLOQOCO-APPZFPTMSA-N 451.133 1.427 50 10 JDGE CC(C)n1cc(B(O)O)cc1C(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2267330011 GFKZAOLDMUIOQO-UHFFFAOYSA-N 457.336 1.942 50 10 JDGE COc1ccc(C=NNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1Cn1cnc([N+](=O)[O-])n1 254386937 KLXSCBLIYOSUID-UHFFFAOYSA-N 457.407 1.115 50 10 JDGE CCCN(CCC)Cc1c(C(=O)NN=Cc2cc(OC)ccc2OC)nnn1-c1nonc1N 254514265 SNFYBJHXRDABCZ-UHFFFAOYSA-N 471.522 1.636 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(CBr)CCOC1 704003352 OFKZWCJXPHHKHZ-SFHVURJKSA-N 459.362 1.782 50 10 JDGE Cc1c(I)cc(B(O)O)cc1CN1CCN(C(=O)OC(C)(C)C)CC1 1887520952 IBZGPLHJIAERLM-UHFFFAOYSA-N 460.121 1.332 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@](C)(CBr)CNC(=O)OC(C)(C)C)CC1 2278336380 LLRWNYOXXJNEQB-MRXNPFEDSA-N 458.419 1.952 50 10 JDGE COc1ccc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc1B(O)O 2282172493 XPMMRKDAUAFLPM-UHFFFAOYSA-N 460.339 1.576 50 10 JDGE CC(C)(C)OC(=O)NCCCC[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C(=O)O 2289603560 JMVHPQNEKRXLBJ-CYBMUJFWSA-N 472.402 1.828 50 10 JDGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])cc1 40659286 PDOMJBPQVAEBFX-UHFFFAOYSA-N 473.471 1.521 50 10 JDGE CCOc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCC)cc2)C=3C(N)=O)cc1 254844933 QPGNVRAYTALTGB-OAQYLSRUSA-N 488.569 1.620 50 10 JDGE C#CCCCC(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1646461406 BLVFIAIDIUHJML-CQSZACIVSA-N 456.362 1.801 50 10 JDGE CC(=O)Nc1cccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961611 MINIJQNACRDKSF-ROUUACIJSA-N 464.526 1.775 50 10 JDGE C[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268633870 VGWUAZOGVPLZCV-DYESRHJHSA-N 455.364 1.569 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c21 2268655652 OHOFPIQQVHMBMM-JXFKEZNVSA-N 454.332 1.754 50 10 JDGE COc1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]2)cc(OC)c1OC 20909992 DMBZBLUCVRUQOU-CGOBSMCZSA-N 477.425 1.078 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccc3c(c2)OCO3)nnn1-c1nonc1N)C1CCCCC1 254429762 IOBGPAKYYNRLOE-UHFFFAOYSA-N 467.490 1.490 50 10 JDGE C[C@@H](Br)[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCO1 2005903925 QKOOXXBYLAQYPI-CJNGLKHVSA-N 459.362 1.877 50 10 JDGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccccn4)c3[N+](=O)[O-])CC2)cc1 40611237 QVYPFBVPNHPAGM-UHFFFAOYSA-N 450.459 1.872 50 10 JDGE C=C[C@H](CO)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1148559632 TXRCBOYCGJLOER-CRPZLVSXSA-N 458.316 1.758 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cnc4ccccc4n3)cc2)CC1 1633679116 XRMNDYQGYUWGKX-UHFFFAOYSA-N 454.512 1.240 50 10 JDGE Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Br)cc1I 2224629876 RAEQYORAGQOADV-GXSJLCMTSA-N 458.115 1.890 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2[C@@H]1CO 2235559102 VFHMNWDGYPEZOG-QEJZJMRPSA-N 468.414 1.250 50 10 JDGE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=Nc2ncc(Br)cc2B(O)O)CC1 2240345418 RXUCDVBAZZOVSW-MHZLTWQESA-N 462.175 1.653 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@H]2CCCN(S(C)(=O)=O)C2)C1 2249187028 DVCYPFQPFIHUGG-AVGNSLFASA-N 474.361 1.850 50 10 JDGE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccnc1 2296881691 WFSVLRMZGUCOCN-UHFFFAOYSA-N 456.505 1.863 50 10 JDGE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NNC(=O)c1csc(N2CCOCC2)n1 9442381 RGDAOPBCFUBTHZ-UHFFFAOYSA-N 454.434 1.809 50 10 JDGE CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630332 UILKVBNHYSGVOW-OJXHRBAXSA-N 456.524 1.762 50 10 JDGE CCOc1ccc(OC)c(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 254414938 NTQNSTQQCWIKDL-UHFFFAOYSA-N 454.483 1.655 50 10 JDGE CCO[Si](CCCNC(=O)CCOCCOCCOCCOCCOC)(OCC)OCC 1857791977 RXDVHXFXNJERJZ-UHFFFAOYSA-N 483.675 1.644 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCN(CCBr)C1 2108244627 RCQBDYRXKNDVOG-LIRRHRJNSA-N 490.395 1.790 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@H](CCNS(=O)(=O)N2CCC(Br)CC2)C1 2124738234 BXCXAXSEFKYPGP-AWEZNQCLSA-N 456.403 1.706 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2OCCC[C@]2(CBr)C1 2222903994 CNPNICVGAWHFCV-APWZRJJASA-N 471.373 1.878 50 10 JDGE C[C@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256682157 VMOZXDPXDUTKCN-GOEBONIOSA-N 463.365 1.500 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2358558199 ZTNZJIZPJNZFGV-KFWWJZLASA-N 465.366 1.201 50 10 JDGE C[C@H]1[C@H](OC(=O)CCC(=O)NN2CCOCC2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 215667134 FBQSKFBDDWKIAP-XTFKSGFMSA-N 468.547 1.881 50 10 JDGE biogenic COc1ccc(-c2cnc(CCC(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)o2)cc1 728338648 LTQYYLQAHGNWGB-FQEVSTJZSA-N 481.461 1.813 50 10 JDGE C[C@@H](NS(=O)(=O)N1CCC(Br)CC1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2162590467 BUJSMLUXCPQGPO-CYBMUJFWSA-N 470.430 1.831 50 10 JDGE COc1cc(OC)c(OC)cc1C=NNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 254555097 VJESBGKQTLUHBZ-UHFFFAOYSA-N 461.471 1.618 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1F 1309404555 ADZAAGALQZBHJW-UHFFFAOYSA-N 458.512 1.826 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2136610162 AFATUTFDWSGNQP-MRXNPFEDSA-N 456.403 1.442 50 10 JDGE O=S1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 2177848992 NVRSBZBLORZLDH-DTWKUNHWSA-N 451.133 1.427 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2cc(B(O)O)cs2)C1 2247843212 HKRUJFQJSFYOSG-UHFFFAOYSA-N 468.362 1.170 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B(O)O)c1 2268646015 IABFZTWUPKPNSU-LAUBAEHRSA-N 456.348 1.823 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B(O)O)c2C1 2336495837 AKARXTWINVOCKO-QRWLVFNGSA-N 474.388 1.811 50 10 JDGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)nnn1-c1nonc1N 3633023 KFUMUOVMGVPPNV-YDZHTSKRSA-N 454.539 1.684 50 10 JDGE C/C(N)=C(/C#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 25666497 VVBXTYOPHAANSE-UKYUDJEDSA-N 458.334 1.621 50 10 JDGE O=C(CCCC(=O)NNC(=O)COc1ccccc1Cl)NNC(=O)COc1ccccc1Cl 100063209 XHIZNDUDEMNKSL-UHFFFAOYSA-N 497.335 1.916 50 10 JDGE CCS(=O)(=O)N1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 748055181 BVIBRVMXQYCWTF-XDJHFCHBSA-N 452.540 1.865 50 10 JDGE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)CI)C1)C(F)(F)F 1983328227 VJCVIYFOJWPYLA-RITPCOANSA-N 468.157 1.783 50 10 JDGE COc1ccc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2247892443 AVVMTWDPEJVIBO-UHFFFAOYSA-N 460.295 1.644 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B(O)O)cccc21 2268634989 MIWUBCXOTLSIMO-HRAATJIYSA-N 454.332 1.754 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2cccc(B(O)O)c2)CCN(Cc2ccccc2)CC1 2282217052 QHGHXIRFVPTHEG-UHFFFAOYSA-N 467.375 1.656 50 10 JDGE CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(C(=O)OC)cc2)c2ccccc2c1=O 15245489 JAYWBPCNNGVOQT-UHFFFAOYSA-N 472.523 1.997 50 10 JDGE O=C(CSc1n[nH]c(N/N=C/c2cccc([N+](=O)[O-])c2)n1)NNC(=O)c1ccc(F)cc1 20923170 LBNPGXZEGQSPDU-AWQFTUOYSA-N 458.435 1.851 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@@H]3CCCN(C(=O)CCl)C3)nc2)OC1(C)C 204882541 YTTAZRMBCISNRW-HNNXBMFYSA-N 471.816 1.807 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCN2CCOC[C@H]2C)cc1 729385495 HMDCFBQCGYQQCS-HNMKQIAWSA-N 466.542 1.178 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)c2c1C 1865852504 ZFULYXHNHWRZJP-CQSZACIVSA-N 463.560 1.869 50 10 JDGE C[C@H]1CO[C@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942094571 GTCPCYNBMSPJTI-UONOGXRCSA-N 459.362 1.877 50 10 JDGE O=S1(=O)C[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)[C@@H](Br)C1 2177842062 AARPXFFNXFNLLX-CBAPKCEASA-N 467.588 1.941 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B(O)O)cccc21 2268651839 QDLWUXNEYRUYOE-HXUWFJFHSA-N 453.348 1.281 50 10 JDGE Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1B(O)O 2278700638 PKXISDCVUATMHJ-UTKZUKDTSA-N 456.348 1.790 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2ccccc2B(O)O)CCN(Cc2ccccc2)C1 2283956285 JUGZGNVTYYEEOO-RUZDIDTESA-N 467.375 1.195 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736841 YKKMODWDRBFNAL-UHFFFAOYSA-N 485.566 1.400 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CC[C@H]3CCCN(C(=O)CCl)C3)nc2)OC1(C)C 204881936 DRBARNNIVUDFNR-CQSZACIVSA-N 457.789 1.417 50 10 JDGE CCC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(C)cc1 254351390 LDDIORAMNOBQCX-UHFFFAOYSA-N 467.519 1.506 50 10 JDGE CC(=O)OC[C@H]1O[C@@H](Cl)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 616587659 YRXSTYGMBJFQAY-MDMSPXHWSA-N 453.831 1.041 50 10 JDGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3ccc(-c4ccccn4)nc3O)cc2)CC1 728216033 NXJONNWFHYWJPP-UHFFFAOYSA-N 468.539 1.542 50 10 JDGE CC(C)n1nc(C(=O)NNC(=O)NCCS(=O)(=O)c2ccccc2)c2ccccc2c1=O 918229451 BRZQHUSZDOCQDC-UHFFFAOYSA-N 457.512 1.395 50 10 JDGE C=C(CBr)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1559628384 CXLRBUYQAHCANH-UHFFFAOYSA-N 451.408 1.656 50 10 JDGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)CI)C1 1881749897 NAWDCKIMBMUOIY-ZDUSSCGKSA-N 454.286 1.336 50 10 JDGE O=C(NOCCCNC(=O)c1ncc(B(O)O)cc1F)OCC1c2ccccc2-c2ccccc21 2255743427 OCOMFJBLFMIECP-UHFFFAOYSA-N 479.273 1.491 50 10 JDGE Cn1ncc(I)c1C(=O)NN=Cc1ccc(OCC(=O)N2CCCC2)cc1 252621723 NFOPUOMYXLXIJB-UHFFFAOYSA-N 481.294 1.790 50 10 JDGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1 254379780 JAUJEHYFOHHPPR-UHFFFAOYSA-N 464.526 1.118 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccccc3[N+](=O)[O-])nnn2-c2nonc2N)cc1 254765635 YWLLDUXSPMDNSF-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE Cc1ccn2cc(CNC(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc2c1 918234214 BTLXDICKBRDBPW-UHFFFAOYSA-N 456.528 1.571 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1COC2(CCC2)[C@@H]1Br 2025827600 XSQBXFXGFFLHBT-LSDHHAIUSA-N 457.346 1.677 50 10 JDGE C[C@H](c1cscc1B(O)O)N(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268676810 NWAWZKCGODGFGV-QGZVFWFLSA-N 475.420 1.974 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@]1(C)CCCN(C(=O)OCc2ccccc2)C1 2282735514 BNEMHLCZWHHGPN-LJQANCHMSA-N 452.363 1.206 50 10 JDGE Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 2297486678 IHESNOPNCCROGI-UHFFFAOYSA-N 465.915 1.543 50 10 JDGE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NNC(=O)c1cn(C)c3ccccc13)n2C 10736987 JALRTHLHROKOOC-UHFFFAOYSA-N 482.566 1.709 50 10 JDGE CN(CCBr)CCN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703967168 MTZDQSDUZIZCGZ-UHFFFAOYSA-N 474.421 1.897 50 10 JDGE O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)c1cccnc1 1858002129 KMEWNJYLXINUGC-UHFFFAOYSA-N 471.539 1.070 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc2s1 1865845485 SNBPYUCICZNZIZ-ZDUSSCGKSA-N 463.560 1.815 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/Nc1ccc(N/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1 101459151 YAZCAPVGFKLPKI-AYKLPDECSA-N 456.462 1.956 50 10 JDGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217231474 ZWMOOVFGBVFOGM-NXVVXOECSA-N 471.495 1.956 50 10 JDGE N#CCOc1c(Br)cc(C=NNC(=O)CN2CCOCC2)cc1Br 1084227465 OQWGYUFKGHFEFD-UHFFFAOYSA-N 460.126 1.896 50 10 JDGE CCOC(=O)COc1ccc2c(c1)C(=NNC(=O)CN(C)[C@@H](C)Cc1ccccc1)C(=O)N2 1088719465 JPYSBZVAOAHFMY-INIZCTEOSA-N 452.511 1.964 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNc1cc(Br)ncn1)c1ccc(S(C)(=O)=O)cc1 1455466833 RDEMDAGBJGNXPJ-INIZCTEOSA-N 456.322 1.137 50 10 JDGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1538534397 FTPTXBMUNJMVPA-INIZCTEOSA-N 452.533 1.005 50 10 JDGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1 1539619594 XKVHRMGVFYCEFB-UHFFFAOYSA-N 459.260 1.467 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](OCCBr)C1 2001030278 ZYPFQHTTWZMAJN-AWEZNQCLSA-N 459.362 1.878 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2080886311 IGDJQDQYPHPTHX-ILXRZTDVSA-N 495.664 1.740 50 10 JDGE CC(C)(C)OC(=O)N1CCC(CO)(CNS(=O)(=O)N2CCC(Br)CC2)CC1 2188271607 FZNQZTHOWILRCU-UHFFFAOYSA-N 470.430 1.690 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)N1CC(Cl)C1 2242856731 GNQUBMNOOSQWNC-UHFFFAOYSA-N 471.020 1.942 50 10 JDGE COc1cc(N2C(=O)C(=CNNC(=O)c3ccccc3)C(=O)NC2=S)cc(OC)c1OC 2296233714 HKBDRGUCKDAUGK-UHFFFAOYSA-N 456.480 1.279 50 10 JDGE Cc1ccc(C=NNC(=O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254855498 XBGOOOVADDWLLW-UHFFFAOYSA-N 459.510 1.944 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H](Br)C1 703964013 GRAHWHGRNPAFRZ-ZDUSSCGKSA-N 459.362 1.734 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccc(F)c1)C=2C(=O)Nc1cccc(C)c1 1080323745 YNAGSKQVEGBLRU-FQEVSTJZSA-N 490.516 1.549 50 10 JDGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2ccncc2)c(OC)c1 1083973316 JDCUEHVCWOJPKQ-OAQYLSRUSA-N 467.482 1.810 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@H](N2CCN(S(=O)(=O)CI)CC2)C1 2007724419 WEIMRLRFKNRXAU-CYBMUJFWSA-N 473.377 1.726 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2046024655 CBFSTBRTKKUDSK-HDMKZQKVSA-N 476.368 1.350 50 10 JDGE C[C@H](CBr)N1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2113067055 VZQGXRAPQINXQF-AUUYWEPGSA-N 490.395 1.742 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2163050387 JJWNLMKUFBBXSS-QGZVFWFLSA-N 468.414 1.802 50 10 JDGE Cc1ccc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278701233 SVYOMOTZMSLWPN-NRFANRHFSA-N 455.364 1.316 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CC[C@H](CBr)O2)C1 2299922452 LACWSXCIRFHBSF-CYBMUJFWSA-N 457.346 1.631 50 10 JDGE CN(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254744245 MDWAUWBBRFVUAH-UHFFFAOYSA-N 460.502 1.699 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCI 703992589 CGNHCRBLAKGAIN-UHFFFAOYSA-N 450.298 1.663 50 10 JDGE CC(=O)c1cccc(O[C@@H](C)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 1294587477 DJZXCFTZZDLXJX-SFHVURJKSA-N 452.511 1.262 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(S(=O)(=O)N1CCC(Br)CC1)CCO2 2163054093 UILRMTGCWAACMA-KRWDZBQOSA-N 468.414 1.802 50 10 JDGE CCOc1cc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc([N+](=O)[O-])c1OCC 2323157678 FRZFXFAKYRNXDU-SECBINFHSA-N 452.449 1.619 50 10 JDGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)c(O)c1 254484526 DSVPYGXXFOSQNP-UHFFFAOYSA-N 496.576 1.924 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccc(F)cc1)C=2C(=O)Nc1ccc(C)cc1 254795618 QYNNMWLUEKJCDC-HXUWFJFHSA-N 490.516 1.549 50 10 JDGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1865757520 HFXZHOBHVOBEPR-UHFFFAOYSA-N 495.477 1.654 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCC4(CC3)OCCO4)C2)C1 1872961882 NCPMKVBCJUIEBR-ZWKOTPCHSA-N 471.558 1.298 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H](Br)C1 2000532648 LKGXWKKSBRARDM-PXAZEXFGSA-N 463.325 1.436 50 10 JDGE CN(C)C[C@H]1C[C@@H](Br)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2009111786 ICZZQVQQTOMNQI-ZIAGYGMSSA-N 458.378 1.402 50 10 JDGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cn1 2214658874 QGWAJABPFWNVNK-NRFANRHFSA-N 460.299 1.658 50 10 JDGE CN(CC1CC(Br)C1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249448333 NBRPTNYSCGCHEH-NRXISQOPSA-N 463.350 1.801 50 10 JDGE Cc1cc(CN(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2256674720 LROJHZIQQZGUPM-GOSISDBHSA-N 462.377 1.805 50 10 JDGE Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c(Br)c1 13629317 HARYRRNKYJELQJ-CYBMUJFWSA-N 450.289 1.925 50 10 JDGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814534 QMNMYRXMDBRWHT-HKOYGPOVSA-N 468.514 1.788 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@H]3CCCCN3C(=O)CCl)nc2)OC1(C)C 204882335 CEOMJOZMVOHGIH-MRXNPFEDSA-N 471.816 1.950 50 10 JDGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1O 254306711 JBFVARRHRCKLFR-UHFFFAOYSA-N 469.506 1.333 50 10 JDGE C[C@@H]1[C@H](OC(=O)CCC(=O)NN2CCOCC2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 254499769 FBQSKFBDDWKIAP-GBMIIZCJSA-N 468.547 1.881 50 10 JDGE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)CI)C1 1884478812 AQEJFAFPANLQHU-FQEVSTJZSA-N 452.336 1.673 50 10 JDGE CC1(C)OC[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1Br 2078733580 NSGAXYJERSTFAD-DEYYWGMASA-N 477.352 1.871 50 10 JDGE COc1cccc(B(O)O)c1C(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2247876753 VDVXJFMEKMIXAG-UHFFFAOYSA-N 460.295 1.644 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N(C)[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)c1B(O)O 2282373291 KNCLBGSBUNADKK-CVEARBPZSA-N 452.363 1.123 50 10 JDGE Cc1ccc2c(c1)=C(NNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)C(=O)N=2 206937100 DSLJWLWLUICLNC-KGENOOAVSA-N 469.457 1.263 50 10 JDGE COc1ccc(C(=O)NNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c(OC)c1 731047609 SKUIDJAPHZFVMH-GOSISDBHSA-N 469.542 1.545 50 10 JDGE CC(=NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(S(N)(=O)=O)cc1 916368552 UGFOOTGBEZAOMY-UHFFFAOYSA-N 458.521 1.536 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)c3cnn(C)c3)cc2)cc1 1444420719 ZFIHXFNQLAHWTK-UHFFFAOYSA-N 455.496 1.176 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@@H](CBr)CC1CCOCC1 2019197487 AVVGVYBMUWEISR-CQSZACIVSA-N 459.362 1.782 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2042438841 CQNORSAIAVSECJ-UHFFFAOYSA-N 485.143 1.903 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCOCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2163064308 UDMMECZYUMHVGB-CABCVRRESA-N 467.426 1.896 50 10 JDGE O=S1(=O)C[C@H](Br)[C@H](NS(=O)(=O)Cc2ccsc2Br)C1 2226103868 ZZRZBJIOHBFQMD-JGVFFNPUSA-N 453.199 1.491 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)C[C@H]1C(F)(F)F 2240344788 KXKLCWAEYAHTIZ-NSHDSACASA-N 454.052 1.512 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256665858 OJVSVXWBSRJKPU-YOEHRIQHSA-N 463.365 1.452 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B(O)O)cc2F)CCN(Cc2ccccc2)C1 2268630287 IQFIVNQZGFYGGL-HSZRJFAPSA-N 457.311 1.613 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(F)cc2B(O)O)C1 2287637402 BQQCAKBXYBQFJP-UHFFFAOYSA-N 481.330 1.092 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNc2ccc(B(O)O)cc2C#N)C1 2339294167 VXWXSUXZAWSHBP-NRFANRHFSA-N 450.348 1.771 50 10 JDGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 13630302 FNUSMDOSPGVAPT-MRXNPFEDSA-N 458.540 1.999 50 10 JDGE N#C/C(=C/N1CCN(CCO)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216497415 ACUKATQYZYSSDD-LVWGJNHUSA-N 459.594 1.938 50 10 JDGE COC(=O)C1=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 254872695 SRKQWRGMYXJBBK-FQEVSTJZSA-N 475.526 1.528 50 10 JDGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 504276156 OCZLAKAMOSUOEB-QDYOFGMOSA-N 451.029 1.798 50 10 JDGE COC1CC(CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2021472305 YNHZSBTXVCRMQX-UHFFFAOYSA-N 459.362 1.925 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1B(O)O 2247883341 CQIBCBXJYXNLSB-UHFFFAOYSA-N 452.313 1.221 50 10 JDGE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(B(O)O)c1 2268654807 DTVQOLISNJMRCN-QRWLVFNGSA-N 458.320 1.812 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cccc(F)c2B(O)O)C1 2287637330 ANBDWVUXSWULMT-UHFFFAOYSA-N 481.330 1.092 50 10 JDGE O=S(=O)(N1CCC[C@@H](CBr)C1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2355843461 UXLOJUMCCDDRDH-OTWHNJEPSA-N 458.422 1.923 50 10 JDGE CCOC(=O)C1=c2s/c(=C/c3ccc(O)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(O)cc1 32939107 PRNGWPHJMXIJDB-WAGPWIPHSA-N 461.499 1.312 50 10 JDGE OB(O)c1cccnc1Nc1cc(I)cc(I)c1 2223666635 JUSQJYYMCNVCIV-UHFFFAOYSA-N 465.825 1.714 50 10 JDGE CN(Cc1sccc1B(O)O)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671453 SPFVFOJINZUNQX-QGZVFWFLSA-N 462.377 1.887 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)NCc2sccc2B(O)O)CCN(Cc2ccccc2)CC1 2268635065 NEEBMMVFASIHEW-UHFFFAOYSA-N 473.404 1.604 50 10 JDGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C[C@H](C)N1C(=O)OCc1ccccc1 2282379366 SVFJWENQWHURPF-STQMWFEESA-N 472.781 1.501 50 10 JDGE Cc1cc(S(=O)(=O)NCCS(=O)(=O)CCBr)sc1Br 2335753930 CLMXLLMXOOBCIM-UHFFFAOYSA-N 455.215 1.907 50 10 JDGE CC(C)(C)OC(=O)NC[C@@]1(Oc2ccc(B(O)O)cc2C#N)CCN(Cc2ccccc2)C1 2339380176 MZTKBXUDYBJHNE-DEOSSOPVSA-N 451.332 1.786 50 10 JDGE CCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC 749160964 HYGZIZLTKZPWQW-CQSZACIVSA-N 453.542 1.770 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC12CC(CBr)(CO1)C2 2108230228 IFPWLEOWIMJFBB-LMDPOFIKSA-N 489.363 1.874 50 10 JDGE CO[C@@H]1[C@H](OC)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2225079563 CQLSFQBQSMJRTH-BBWFWOEESA-N 489.388 1.502 50 10 JDGE Cc1sc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2256675558 HRMIMDDEHSHIBC-KRWDZBQOSA-N 462.377 1.771 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCOCCI)[C@H]2CS(=O)(=O)C[C@H]21 2306797939 ALGSYTZOIMOKCZ-QWHCGFSZSA-N 474.361 1.156 50 10 JDGE CCOC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(Br)cc2)c2ccccc21 100218748 AHJXSYAFGSWCRC-NCELDCMTSA-N 487.310 1.609 50 10 JDGE COc1ccc(N(C[C@@H](O)Cn2cc(C=NNC(N)=O)c3ccccc32)S(C)(=O)=O)cc1 254594996 YSGIHEZBWIFXNJ-KRWDZBQOSA-N 459.528 1.479 50 10 JDGE CCOc1cc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)ccc1O 1084371115 FRAHPTOZGYXCII-UHFFFAOYSA-N 457.472 1.914 50 10 JDGE NNC(=O)[C@H]1CCC[C@@H](Cn2cnc(I)c2I)O1 2073542385 PZOMUNCSLOYLDR-NKWVEPMBSA-N 476.056 1.020 50 10 JDGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CO1 2106305710 RCOIZSBMPUEUEP-GXTWGEPZSA-N 456.403 1.610 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)cn2)C1 2268667363 XUQDUXYSGRELIW-HSZRJFAPSA-N 455.320 1.544 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2cnsc2B(O)O)CCN(Cc2ccccc2)CC1 2337340211 CUKPZSIHOIUJQU-UHFFFAOYSA-N 474.392 1.112 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Nc2ccc(B(O)O)cc2C#N)C1 2339307728 IENHBKWQARUHCA-UHFFFAOYSA-N 460.340 1.506 50 10 JDGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2C1=O 17457877 AGOWOOWSQQEJKE-UHFFFAOYSA-N 482.518 1.328 50 10 JDGE CCN1CC[C@H](CNC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 730936049 HRPVLSNKAPRWIE-MIQLPHMESA-N 450.543 1.799 50 10 JDGE C#CC[C@@]1(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CCCN1C(=O)OC(C)(C)C 1537671001 NSBFHDDKBOLDIT-QHCPKHFHSA-N 456.547 1.633 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@](C)(CO)C1 2106768574 SJMLDSXNPPBIMA-INIZCTEOSA-N 456.403 1.394 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CCO[C@]2(CBr)C1 2217080180 GMSZUINKHYQLHX-FZKQIMNGSA-N 457.346 1.488 50 10 JDGE Cc1cc(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)ccc1B(O)O 2289492290 LFIROAQQGXRFTA-RUZDIDTESA-N 467.375 1.460 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 14645286 YLLRUUFBQWKYCE-UHFFFAOYSA-N 476.349 1.128 50 10 JDGE Cc1cccn2c(=O)c(/C=C(/C#N)C(N)=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 102994747 UFNOGMROBMXWCI-PDGQHHTCSA-N 472.505 1.446 50 10 JDGE CCOc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc(Br)c1OCC 169924875 UROFIBUHSCWFJE-UKWGHVSLSA-N 453.293 1.624 50 10 JDGE COC(=O)[C@H](I)CNC(=O)c1cccc(I)c1 234599113 SSZAGJBZOAPTLC-SECBINFHSA-N 459.021 1.998 50 10 JDGE COc1cc(OC)c(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 254874612 NLLAIUBCUBMISA-UHFFFAOYSA-N 490.582 1.477 50 10 JDGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 747368833 BIHWBASFIGPMKK-QHCPKHFHSA-N 495.649 1.853 50 10 JDGE CO[C@@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2245986036 LXACDGYISQDOPK-MEDUHNTESA-N 451.314 1.340 50 10 JDGE Cc1sc(B(O)O)cc1C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2255589104 MMXYIZDKVKOISE-UHFFFAOYSA-N 471.385 1.228 50 10 JDGE CC(C)C[C@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)O 2325019894 GSBMGYQWZZCPPM-SFHVURJKSA-N 484.962 1.796 50 10 JDGE Cn1cc(C(=O)NNC(=O)NCCCCN2CCN(c3ncccn3)CC2)c2ccccc21 729221105 IDDLKRLQNBLEED-UHFFFAOYSA-N 450.547 1.515 50 10 JDGE CC(C)C[C@H](C(=O)NNC(=O)CNC(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O 1857965436 LXUORGSDCGVYCM-GOSISDBHSA-N 470.913 1.928 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2013004609 GGNCXZVNRXSNPO-UHOFOFEASA-N 457.346 1.629 50 10 JDGE Cc1c(B(O)O)cccc1C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2266952165 CMMLTWKDKCHTPJ-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ccc(F)c(B(O)O)c2)C1 2267316718 NANQWPXASXAWTB-UHFFFAOYSA-N 458.295 1.130 50 10 JDGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCOC)C1 2296731451 YKLKITOMMTZWJW-QGZVFWFLSA-N 467.526 1.452 50 10 JDGE COc1ccc(/C=C\C(=O)NNC(=O)COc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1 96545131 HFCZVCXDXFXLAY-CLFYSBASSA-N 489.550 1.264 50 10 JDGE CCOc1cc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O 254483639 KRPIVIAMDQKBJO-UHFFFAOYSA-N 460.556 1.556 50 10 JDGE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)COc2ccccc2Br)C1 1478773075 ZKNGFVFZMDJIRK-SQWLQELKSA-N 453.337 1.805 50 10 JDGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3OC)[nH]n2)c1 1556056651 QWKJZXKKTSTUCG-UHFFFAOYSA-N 452.492 1.957 50 10 JDGE C=CCn1c(S)nc2cc(C(=O)NNC(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)ccc2c1=O 1558448247 YXLDQFNYIQXYMP-HNNXBMFYSA-N 459.528 1.642 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H](CBr)C1 2046018617 JQUUDMPSFYSXDG-UGSOOPFHSA-N 477.352 1.684 50 10 JDGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2046027410 BLWAJAINURTMFF-VBHSOAQHSA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccccc1B(O)O)OCc1ccccc1 2247941681 IIZNRVMTHAMWIO-UHFFFAOYSA-N 450.322 1.014 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)Cc1ccsc1B(O)O)Cc1ccccc1 2247952910 PPLRCTQARPWDCF-UHFFFAOYSA-N 458.414 1.892 50 10 JDGE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)sc1B(O)O 2255735455 UMXRULRSIDKNSD-UHFFFAOYSA-N 469.369 1.581 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2occc2B(O)O)CCN(Cc2ccccc2)CC1 2266907213 IRHOVHDOWPGBLA-UHFFFAOYSA-N 457.336 1.249 50 10 JDGE C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2268630811 PFEORNOUXYYVJB-PBHICJAKSA-N 476.360 1.632 50 10 JDGE N#C/C(=C/NCCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 217257492 IOIDXEJOLRKPIQ-FXBPSFAMSA-N 453.568 1.218 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccnc1)C=2C(=O)Nc1ccc(C)c(C)c1 1080323694 LAZYCOLGPFHURT-HXUWFJFHSA-N 487.541 1.113 50 10 JDGE C=CC1(CC(=O)NNC(=O)c2csc(N3CCOCC3)n2)CN(C(=O)OC(C)(C)C)C1 1617995681 PXMRGVHSQRZBCP-UHFFFAOYSA-N 451.549 1.554 50 10 JDGE NNC(=O)COc1cccnc1NC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 1858836293 PUCYBDSGYQNCKM-UHFFFAOYSA-N 463.501 1.352 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)[C@]2(CCCOC2)C1 1983328054 SVHZKXAQUZGXSQ-SMDDNHRTSA-N 460.334 1.857 50 10 JDGE O=C(OCc1ccccc1)N1CCOC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2044261490 XQXYCZFBIHSDJN-KRWDZBQOSA-N 476.393 1.718 50 10 JDGE O=C(NOCCCNS(=O)(=O)c1ccc(B(O)O)cc1)OCC1c2ccccc2-c2ccccc21 2255887033 SELDVMNECTWPOC-UHFFFAOYSA-N 496.350 1.505 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1cc(B(O)O)ccc1F 2283962186 DLRCQCWEGGYXHF-IBGZPJMESA-N 474.294 1.149 50 10 JDGE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)NNC(=O)C(F)(F)F 20917045 LEJMFKRCBSEEOL-QPJQQBGISA-N 468.421 1.099 50 10 JDGE COc1cc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc(OC)c1O 169891660 KIPVQFIQLUSCMW-QZPXRHMKSA-N 457.468 1.165 50 10 JDGE CN(C)C[C@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546083 XHFDPCCSUWFBJK-PXAZEXFGSA-N 464.357 1.255 50 10 JDGE C[C@H](CC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 2060423380 RMIBUUKTGZESML-OAHLLOKOSA-N 485.584 1.747 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Nc2ccc(C=O)c(B(O)O)c2)C1 2339538732 WKAONQVXYYNBMR-UHFFFAOYSA-N 463.340 1.447 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 9229842 ZLZXXQLVZGUFQZ-RMKNXTFCSA-N 460.468 1.970 50 10 JDGE O=C(CCCBr)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 11796272 ZFWJSBDLOQWOBG-UHFFFAOYSA-N 450.374 1.959 50 10 JDGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 575232579 OCZLAKAMOSUOEB-BCNZKMRFSA-N 451.029 1.798 50 10 JDGE CN1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H](CBr)C1 703967217 ONQRJQJJOVSONC-CQSZACIVSA-N 472.405 1.650 50 10 JDGE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 1084438432 UVXFZVRNVHBMNB-UHFFFAOYSA-N 460.907 1.350 50 10 JDGE COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872963071 YWJJXUDYQFHLDO-DLBZAZTESA-N 467.526 1.834 50 10 JDGE C[C@@H](CBr)N1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2113067058 VZQGXRAPQINXQF-LIRRHRJNSA-N 490.395 1.742 50 10 JDGE C[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238411814 KQLVFDVJBXTLRE-SUMWQHHRSA-N 470.430 1.688 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)s1 2256596188 VGDVUKKJLYLLLW-UHFFFAOYSA-N 461.393 1.379 50 10 JDGE NNC(=O)[C@@H]1C[C@H]1CCCn1cnc(I)c1I 2300383225 LBZMVGCIOAGTSA-RNFRBKRXSA-N 460.057 1.499 50 10 JDGE NNC(=O)c1coc(Cn2cnc(I)c2I)c1 310261131 CTSXOHZWUZZPTL-UHFFFAOYSA-N 457.997 1.337 50 10 JDGE Cc1ccc(B(O)O)cc1C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2266955257 VHVLDCPCYSZUDC-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE C[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cccc(B(O)O)c1 2268722030 UHAIDPFCFDGUDY-SFHVURJKSA-N 455.364 1.571 50 10 JDGE N#CC(=Cc1cc(O)c(O)c(O)c1)C(=O)NCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(O)c1 2297749175 AAPVOSBVTLGGOU-UHFFFAOYSA-N 480.433 1.057 50 10 JDGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1ccc2c(c1)OCCO2 17822304 FLGLUKGTYGTWJF-UHFFFAOYSA-N 474.267 1.668 50 10 JDGE CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)NC(=O)N=C2O)cc1 38172550 GNMSXLHKFFNHSH-NBVRZTHBSA-N 476.493 1.982 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)CCNC(=O)/C=C\c3ccccc3)C2)cc1 96652904 ZGDNFJOTZBUDLM-SZRHCGQDSA-N 498.605 1.763 50 10 JDGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)NCCN1CCNCC1 217262092 MXXANJGSACSKCS-LVWGJNHUSA-N 458.610 1.822 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c1-c1ccc2c(c1)OCO2 254790333 CEZJACXQIZGVQB-UHFFFAOYSA-N 463.370 1.300 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC(I)CC1 1895712228 UEZOOQASBWCHJL-UHFFFAOYSA-N 462.309 1.902 50 10 JDGE Cn1ncc(C(=O)NCCOCCCI)c1I 1997677217 PSYNQEYDJRDVFE-UHFFFAOYSA-N 463.057 1.596 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@]1(CBr)CCOC1 2000539374 KRSJBTAUGPHUOF-IRXDYDNUSA-N 463.325 1.484 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@]2(CCOC2)C1 2163058591 LWXKXTWGFNDTLR-WMLDXEAASA-N 468.414 1.849 50 10 JDGE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267386213 RLRIBKLPTPFLJV-UONOGXRCSA-N 458.754 1.159 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCCc2c(B(O)O)cccc21 2268722324 YOBVSYRTELYZKD-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B(O)O)c(F)c2F)CCN(Cc2ccccc2)C1 2284055117 OJGLVXFAFFOVSP-HSZRJFAPSA-N 475.301 1.753 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Oc2ccc(C=O)c(B(O)O)c2)C1 2339539133 BXYLIIQRFUFDAP-UHFFFAOYSA-N 464.324 1.414 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1COC1 1915545201 RSVCUMOVDPJJTB-UHFFFAOYSA-N 459.362 1.734 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256679447 LLZQDHYLUQGAFM-QGZVFWFLSA-N 462.377 1.805 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)Nc1ccc(B(O)O)cc1C#N 2339305837 JLDRTYUQEJCKPD-UHFFFAOYSA-N 462.356 1.848 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)Cc3ccccn3)cc2)cc1 729392954 DKVGLUTVTHILAR-UHFFFAOYSA-N 466.519 1.766 50 10 JDGE CO[C@@H]1C[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2014104959 PFYRXZGTXZGESL-APHBMKBZSA-N 459.362 1.923 50 10 JDGE CC(C)(C)OC(=O)NCC12CC(NS(=O)(=O)N3CCC(Br)CC3)(CO1)C2 2106300860 FLGUOORHCXKHEA-UHFFFAOYSA-N 454.387 1.506 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1sccc1B(O)O 2255665022 ZXHFZQLMRHWHHT-UHFFFAOYSA-N 472.397 1.178 50 10 JDGE CC(C)(C)OC(=O)NCC1(COc2ncc(Br)cc2B(O)O)CC(F)(F)C1 2281671138 ROTVKHARKUCODW-UHFFFAOYSA-N 451.073 1.843 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2N)cc1 40793625 QKKFLQGXNLEZSS-UHFFFAOYSA-N 477.525 1.875 50 10 JDGE COc1ccc(/C=N/Nc2nc(S[C@@H](C)C(=O)NNC(C)=O)n[nH]2)cc1OCn1cccn1 59880171 ZXAYKXVRMDWWOL-QDBSGRMGSA-N 473.519 1.140 50 10 JDGE CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)NN=Cc2ccc(C(F)(F)F)cc2)cc1 254467649 QNGNVTSFPOFTMD-UHFFFAOYSA-N 456.446 1.836 50 10 JDGE CN([C@H]1COC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 709085176 JCOZOCFFMVOXFH-CABCVRRESA-N 459.362 1.733 50 10 JDGE COc1ccc(C(=O)NNC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c(OC)c1 731220327 CJGXAMXYUWECNU-IAGOWNOFSA-N 461.563 1.371 50 10 JDGE CCOc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770546 MVJOGSFOLQWDTP-ZDUSSCGKSA-N 476.580 1.991 50 10 JDGE CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771214 NCUGBDYBQZECKJ-UHFFFAOYSA-N 474.564 1.343 50 10 JDGE C[C@@H]1CO[C@@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942094570 GTCPCYNBMSPJTI-KGLIPLIRSA-N 459.362 1.877 50 10 JDGE Cc1sc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2255685271 XZQCFXIATUDZFG-UHFFFAOYSA-N 460.361 1.361 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cc(F)c(B(O)O)cc1Cl 2267803032 ZLUZJXHHEJBOJQ-UHFFFAOYSA-N 489.737 1.307 50 10 JDGE C[C@]1(NS(=O)(=O)Cc2ccsc2B(O)O)CCCN(C(=O)OCc2ccccc2)C1 2282737935 NEMREHAUBRGQIQ-IBGZPJMESA-N 452.363 1.039 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283947978 HNAPKVDYZYKHGI-PBHICJAKSA-N 491.375 1.369 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 217001243 HBCOOOLSKLZRMJ-CYVLTUHYSA-N 468.535 1.754 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCOCC1)c1ccc(CC(C)C)cc1 254789674 XMNQKZJMVZHLMX-UHFFFAOYSA-N 467.534 1.417 50 10 JDGE COc1cccc(/C=N/NC(=O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)c1 606630501 RVFBTAOGIKDBOD-DHRITJCHSA-N 475.509 1.645 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B(O)O)cs1 2256620475 JFQGUYUZDRBKCX-LJQANCHMSA-N 461.393 1.412 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B(O)O)cs1 2256626565 LKAFNTREMBDNOB-KXBFYZLASA-N 462.377 1.885 50 10 JDGE Cc1sc(CNC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2256674059 HRMIMDDEHSHIBC-QGZVFWFLSA-N 462.377 1.771 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NNC(=O)c1ccccc1 1084586933 HISWDDQGQPLGGB-UHFFFAOYSA-N 485.442 1.620 50 10 JDGE CC1(C)CO[C@@H](CBr)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2002327670 ZBOSBKGXSOHECH-ZDUSSCGKSA-N 459.362 1.877 50 10 JDGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179815430 LTJNFULWCYXUBK-SJORKVTESA-N 455.378 1.887 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1sccc1B(O)O 2243426459 XPUDOZJWUFLVOB-UHFFFAOYSA-N 454.379 1.534 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B(O)O)cs1 2256620474 JFQGUYUZDRBKCX-IBGZPJMESA-N 461.393 1.412 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268647346 YXNMSANUHISHIE-YJBOKZPZSA-N 476.408 1.368 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCCc2ccc(B(O)O)cc21 2268714276 IKEGRJYZHCZVLU-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE O=C(NCC1(F)CCN(C(=O)OCc2ccccc2)CC1)c1scc(B(O)O)c1Cl 2282477706 UBRCFEIBLQSZDK-UHFFFAOYSA-N 454.716 1.952 50 10 JDGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283969500 QKCVMQUMKUZUGN-FQEVSTJZSA-N 470.331 1.949 50 10 JDGE Cn1nc(Br)c(Br)c1[C@@H](Cl)CS(=O)(=O)N1CCOCC1 2364234299 IWQSDEDLJJIKOH-ZETCQYMHSA-N 451.568 1.887 50 10 JDGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)COc2ccccc2)c1[N+](=O)[O-] 40658503 MFUUYRTZSHGWFS-UHFFFAOYSA-N 453.415 1.672 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2106303302 STOBBXWUKFPKTR-INIZCTEOSA-N 456.403 1.706 50 10 JDGE CC(C)(C)OC(=O)NCCN1CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106770802 CDVTWYUKBCHJKK-UHFFFAOYSA-N 455.419 1.233 50 10 JDGE C[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F 2106780762 BKVFQYYIJFGSJX-CKYFFXLPSA-N 450.321 1.868 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2c(Cl)cccc2B(O)O)C1 2266891867 NDWLXNAFLIVXGQ-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B(O)O)cc2C1 2268656602 YTZXWOPAABXOIJ-IIBYNOLFSA-N 454.332 1.707 50 10 JDGE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1ccc(B(O)O)cc1 2284055439 TVQIUQKMBOPYFF-BVZFJXPGSA-N 467.375 1.713 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284142955 NDFWPMYEAWKZNC-MRXNPFEDSA-N 489.403 1.796 50 10 JDGE COc1ccc(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2296178163 JQGOXTFAGFBBMJ-IBGZPJMESA-N 472.347 1.491 50 10 JDGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 14021900 DJLJTIOTQRQNTB-UHFFFAOYSA-N 460.468 1.876 50 10 JDGE COc1cc(/C=C(\C#N)C(N)=O)ccc1OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 40890107 FEELFGOUVGWPGL-UKTHLTGXSA-N 464.390 1.587 50 10 JDGE COc1cccc(/C=N/NC(=O)c2nonc2C(=O)N/N=C/c2cccc(OC)c2O)c1O 59503392 UZNQHYROUXHULO-VGENTYGXSA-N 454.399 1.026 50 10 JDGE CN1C(=O)C(=NNC(=O)c2cccc(C(=O)NN=C3C(=O)N(C)c4ccccc43)c2)c2ccccc21 252640399 YTDAKQDOQNZKKH-UHFFFAOYSA-N 480.484 1.908 50 10 JDGE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 1084301120 IDDHMNIFRFBEEW-UHFFFAOYSA-N 494.512 1.989 50 10 JDGE Cc1cc(S(=O)(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)sc1B(O)O 2255757574 XTBNMJLQVOAUCT-UHFFFAOYSA-N 482.389 1.478 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCOC[C@@H]1CBr 2311025435 IDXOCQXOLMIHMF-WBHUJUFNSA-N 477.352 1.730 50 10 JDGE COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(C[C@@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39918722 VOUCTOPOQMFVNO-IVCQMTBJSA-N 462.506 1.701 50 10 JDGE NNC(=O)[C@@H]1CC[C@H](Cn2cnc(I)c2I)C1 1908358534 OUIGTUQRIJRQPY-NKWVEPMBSA-N 460.057 1.499 50 10 JDGE O=C(NCCNC(=O)c1cc(B(O)O)c(O)cc1O)OCC1c2ccccc2-c2ccccc21 2248032799 OJEBRACREMYUGR-UHFFFAOYSA-N 462.267 1.046 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1Cc2cccc(B(O)O)c2C1 2268678913 BBWANRCVTHKYEL-IBGZPJMESA-N 454.332 1.709 50 10 JDGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCCCN1CCCC1=O 2324077400 YTYTUDIKZUYEQJ-UHFFFAOYSA-N 495.989 1.309 50 10 JDGE COCCCNC(=O)/C(C#N)=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O 34990356 RGUCEAQPWZZAIF-ICFOKQHNSA-N 453.499 1.097 50 10 JDGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 217202753 CZNAPIJCLJHIED-ZPHPHTNESA-N 460.556 1.202 50 10 JDGE COc1ccc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)cc1Cn1nnc2ccccc21 254608405 YULCYPABJPWQDE-UHFFFAOYSA-N 473.457 1.106 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccc(F)c1)C=2C(=O)Nc1cccc(C)c1 1080323746 YNAGSKQVEGBLRU-HXUWFJFHSA-N 490.516 1.549 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CCO[C@@]2(CBr)C1 2223472858 PCGLIADGNRZPMO-KUHUBIRLSA-N 471.373 1.878 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1Cc2cccc(B(O)O)c2C1 2283967165 ZOSSDUFEMMPFJB-FQEVSTJZSA-N 468.315 1.235 50 10 JDGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630290 SEMWWBQIMGESHR-MRXNPFEDSA-N 474.539 1.379 50 10 JDGE O=C1C=CC([N+](=O)[O-])=C/C1=C/NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 34133873 VDQXSEBOCNDXEK-CKKJHJONSA-N 474.429 1.990 50 10 JDGE N#C/C(=C/c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 34798683 VCCPJYKYKXGGMX-NOCRFKNCSA-N 455.540 1.285 50 10 JDGE N#CC1=C(N)n2c(sc(=Cc3ccccc3[N+](=O)[O-])c2=O)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 252671166 MWOHUPUTVRGPOP-IBGZPJMESA-N 472.442 1.678 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc(C#N)cc1 254622328 JBAYXNSKYCCWNH-UHFFFAOYSA-N 457.410 1.654 50 10 JDGE COc1cc(C=NNC(=O)CSc2nnc(N)s2)ccc1OCC(=O)N1CCCCC1 256028567 VNIRAJZDQQYTEU-UHFFFAOYSA-N 464.573 1.763 50 10 JDGE COc1cccc(C=NNC(=O)c2nonc2C(=O)NN=Cc2cccc(OC)c2O)c1O 1084055698 UZNQHYROUXHULO-UHFFFAOYSA-N 454.399 1.026 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@]2(CBr)C1 2226176280 PUVUJTHJBNKZBN-XOBRGWDASA-N 485.400 1.982 50 10 JDGE Cc1cc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)sc1B(O)O 2255736299 KQBNLQWWIOXSEQ-UHFFFAOYSA-N 450.369 1.938 50 10 JDGE COc1cc(CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2260829606 OEXJOXAVNJNHBC-UHFFFAOYSA-N 474.322 1.920 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(COCCBr)CC1 2002244008 ICDNUCQXTPWQJZ-UHFFFAOYSA-N 459.362 1.736 50 10 JDGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2025203628 IZDIOAOZMQLVJP-QGZVFWFLSA-N 458.323 1.952 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)Cc1ncsc1Br 2218985245 DQGYHKPRPYVWJI-YFKPBYRVSA-N 469.120 1.302 50 10 JDGE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2282372918 FWFPINRHAISPSR-DLBZAZTESA-N 452.725 1.098 50 10 JDGE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C[C@@H](C)N1C(=O)OCc1ccccc1 2282379364 SVFJWENQWHURPF-BETUJISGSA-N 472.781 1.501 50 10 JDGE O=C(NCCS(=O)(=O)CCBr)c1cc(I)ccc1O 2335757419 QDGZMBLEYITSQV-UHFFFAOYSA-N 462.103 1.536 50 10 JDGE COc1ccc(OC)c(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1 1084337974 MYPMPCLARCISBG-UHFFFAOYSA-N 473.490 1.960 50 10 JDGE CN(C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)c2ccc(Br)cc2)c1 1115964895 NAWMEEMSSFBCPT-UHFFFAOYSA-N 462.348 1.885 50 10 JDGE C=CC[C@@H](Cc1ccccc1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1564912960 DUYNUDNDBAZUNW-IBGZPJMESA-N 458.588 1.831 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)C2(CCOCC2)C1 2006030941 TYWYNDVKMBHJHZ-HNNXBMFYSA-N 457.346 1.488 50 10 JDGE NS(=O)(=O)c1ccc(NS(=O)(=O)CI)c(Br)c1 2007714480 JLTUWXTWNVOKJI-UHFFFAOYSA-N 455.093 1.231 50 10 JDGE Cc1nc(I)c(I)n1-c1cc(B(O)O)c(Cl)cn1 2263231979 LNLMCEVHJKTQMF-UHFFFAOYSA-N 489.247 1.118 50 10 JDGE Cc1cc(S(=O)(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)ccc1B(O)O 2267389557 QCTNREHEESBVKA-UHFFFAOYSA-N 476.360 1.417 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B(O)O)c(F)c1F 2268646061 SATWUPHRQANDLX-QGZVFWFLSA-N 463.290 1.608 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(B(O)O)c(Cl)c1 2282286856 QUIJVPQRWLUCDV-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE COc1cc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc(Br)c1OC 2323161016 YQVLUTAESJLJON-SSDOTTSWSA-N 458.294 1.693 50 10 JDGE O=C(NNC(=O)c1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 3142735 UYLXNPLITBERGZ-UHFFFAOYSA-N 492.404 1.653 50 10 JDGE O=C(CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 379435632 UJGCCUVYDXTQFX-SOUVJXGZSA-N 478.976 1.010 50 10 JDGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 1084071469 UMAFEEPYXIJWKV-FQEVSTJZSA-N 454.483 1.458 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)NC[C@H]1CCCO1 1084555553 GEKPJNWQSUGOQN-OAQYLSRUSA-N 452.511 1.170 50 10 JDGE C#CC[C@]1(C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)CCCN1C(=O)OC(C)(C)C 1556767019 ZVZHNFDRVUWFCW-WAIKUNEKSA-N 454.483 1.378 50 10 JDGE Cc1cc(CN(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2256670936 LROJHZIQQZGUPM-GOSISDBHSA-N 462.377 1.805 50 10 JDGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1OC 2296814967 PVKUGUWTLJENHR-UHFFFAOYSA-N 470.551 1.836 50 10 JDGE O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1 726862517 QTWZJJKSMMEIGQ-UHFFFAOYSA-N 472.548 1.933 50 10 JDGE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728456787 XWHAIAFLXPCXLF-LJQANCHMSA-N 456.474 1.293 50 10 JDGE CC(=O)N1CC(C(=O)NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)C1 1463585598 DDBPSSNMWGUNGZ-UHFFFAOYSA-N 458.540 1.055 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1872962629 VDUBHCRVPFBWGY-DLBZAZTESA-N 465.510 1.588 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1sccc1I 2008520986 GMPUXWFMPDORJN-VDTYLAMSSA-N 450.117 1.643 50 10 JDGE C=C[C@]1(CBr)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2135136411 WQKVPVTWQIWING-OALUTQOASA-N 489.363 1.993 50 10 JDGE Cc1cc(B(O)O)cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2266946957 FLTSKCIQIZAASH-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ncc(B(O)O)cc2Cl)C1 2281884275 RIWLBIUTXBJGOI-GOSISDBHSA-N 488.781 1.266 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 106404019 GRDUQQNEXMJRRS-TZNCUMHOSA-N 498.282 1.198 50 10 JDGE O=C(NN=Cc1cnn(-c2ccccc2)c1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 254304313 XTRGPMNCVYAZBY-UYAOXDASSA-N 473.942 1.800 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cc(I)sn1 2008521334 JMSXDHKUFAPXMA-XINAWCOVSA-N 451.105 1.038 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2132545944 YQHMHFNXFODWRI-XOIINTDNSA-N 485.400 1.980 50 10 JDGE COc1cc([N+](=O)[O-])ccc1NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 2325220452 ZYAKYYRGBWJKAQ-MRXNPFEDSA-N 451.505 1.000 50 10 JDGE Cc1nn(C)c(C)c1/C=N/Nc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1 20923760 QVHUQNQZEIFZOL-DNTJNYDQSA-N 461.939 1.808 50 10 JDGE CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(\C#N)C(=O)NCCOC)o2)cc1 33932950 PEQXCWNKLGUSNT-FOWTUZBSSA-N 468.466 1.381 50 10 JDGE CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)[P@]1(=O)OCCCN1CCCl 95904377 CPMUZAHZMMONPM-VWLOTQADSA-N 470.934 1.090 50 10 JDGE O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 104661449 MHUWTDKLXAOIIN-UHFFFAOYSA-N 492.404 1.653 50 10 JDGE Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)NCCCN3CCCS3(=O)=O)cc12 726276931 RHLHUBSWXIUDOY-UHFFFAOYSA-N 476.584 1.765 50 10 JDGE COc1cc(C=NNC(=O)CSc2nnc(-c3ccccc3O)n2N)c([N+](=O)[O-])cc1O 1084457704 PRHULAWDXCQAGO-UHFFFAOYSA-N 459.444 1.229 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2022219682 JDZYISUDYXXMMY-APHBMKBZSA-N 457.346 1.487 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2132545221 USZOKYFASMTMLI-AODNKKSCSA-N 489.363 1.682 50 10 JDGE Cn1nc([C@H](Br)CS(=O)(=O)N2CCOCC2)c(Br)c1Cl 2167035184 WKSGVKFHNQDMNM-SSDOTTSWSA-N 451.568 1.934 50 10 JDGE Cc1ccc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1B(O)O 2282287849 GPOMQVHDMWMSCB-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(N)=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297736565 GFJQQPYCTIQFPJ-ZSPOLQCLSA-N 461.559 1.353 50 10 JDGE COC[C@]1(CBr)C=CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2351733485 YKUWBBRMYMYTEF-RBUKOAKNSA-N 489.363 1.993 50 10 JDGE COc1ccc(N(C[C@H](O)Cn2cc(C=NNC(N)=O)c3ccccc32)S(C)(=O)=O)cc1 254595000 YSGIHEZBWIFXNJ-QGZVFWFLSA-N 459.528 1.479 50 10 JDGE Cn1c(=O)nc(O)c2c1nc(N1CCCCC1)n2CCC(=O)NN=Cc1cccc([N+](=O)[O-])c1 254760924 CXMYNKVLZJQFTH-UHFFFAOYSA-N 468.474 1.275 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)c1 1633773687 PEWRSNDEUVPZBR-UHFFFAOYSA-N 450.567 1.716 50 10 JDGE COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872962878 XZTITMUKDKJHPG-UXHICEINSA-N 495.580 1.872 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)cc1 2268651499 WZAKQLSZVRHYJJ-NRFANRHFSA-N 455.364 1.350 50 10 JDGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1I 13629074 GIUZEESMCQYDQC-LLVKDONJSA-N 453.236 1.694 50 10 JDGE COc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1 13979280 LUZDUYNTOSRGRI-UHFFFAOYSA-N 468.329 1.937 50 10 JDGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C(C)C)[nH]1 253573273 RFURXFCJXAEDPE-SSDVNMTOSA-N 484.590 1.706 50 10 JDGE COc1cc(OC)c(OC)cc1C=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1 254714919 ZTBZPEYHIURARJ-UHFFFAOYSA-N 478.469 1.998 50 10 JDGE C=C[C@](C)(O)C(=O)NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1290209981 ZYWIAAVCQCISRF-FQEVSTJZSA-N 451.932 1.615 50 10 JDGE C#CC[C@]1(C(=O)NNC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1558446812 CIECYNYTHSZCDC-OYHNWAKOSA-N 450.536 1.936 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@]3(C)C[C@H]3Br)c2)CC1 1588025871 JCUBCNHHGYJZDK-SJLPKXTDSA-N 458.378 1.443 50 10 JDGE C[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256622626 JULXWTSVQATZNH-PBHICJAKSA-N 462.381 1.025 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(F)c(B(O)O)c2)C1 2267369024 RGEYYVHWEKDPSX-UHFFFAOYSA-N 480.323 1.247 50 10 JDGE CN(Cc1csc(B(O)O)c1)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2268645332 UAHZTJGSRUFISX-KRWDZBQOSA-N 476.360 1.413 50 10 JDGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216950171 ONOBCDIAQLCEQI-VKAVYKQESA-N 470.507 1.826 50 10 JDGE CCOc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)OC)cc2)S(C)(=O)=O)cc1 254413529 TZORZTHHBBLABE-UHFFFAOYSA-N 463.512 1.553 50 10 JDGE CN([C@@H]1COC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 709085202 JCOZOCFFMVOXFH-LSDHHAIUSA-N 459.362 1.733 50 10 JDGE O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)COc1ccccc1O 730781617 VAFMSBHGSXIAIX-UHFFFAOYSA-N 462.256 1.367 50 10 JDGE CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1OCC 798146049 VXCDPADPFGBPIS-UHFFFAOYSA-N 455.920 1.877 50 10 JDGE COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cccnc3)CC2)cc1Cl 1858002179 ORSMKLCIGTYUBZ-UHFFFAOYSA-N 452.920 1.606 50 10 JDGE CN([C@@H]1COC[C@@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542875 LVOGBXKIYKOSRP-VBQJREDUSA-N 463.325 1.435 50 10 JDGE CC(C)(C)OC(=O)N1CCCN(c2ncc(Br)cc2B(O)O)CC(F)(F)C1 2240337097 OXPSLMPDRJHDQS-UHFFFAOYSA-N 450.089 1.606 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cscc2B(O)O)C1 2259431929 ZEGGODOHNADOBX-UHFFFAOYSA-N 469.369 1.014 50 10 JDGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CNNC(=O)COc1ccccc1C#N 9562374 OCRQCFDPOLUBJG-UHFFFAOYSA-N 497.552 1.831 50 10 JDGE COc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1I 13985171 DSGHZJSUHLEKFM-UHFFFAOYSA-N 459.284 1.757 50 10 JDGE COc1cc([N+](=O)[O-])cc([C@@H]2OC(c3nc4nc(C)cc(C)n4n3)=NN2C(C)=O)c1OC(C)=O 102618219 YEFDBEVXRDWTSY-IBGZPJMESA-N 469.414 1.822 50 10 JDGE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2163051514 UPYGFTOEGHBEEK-HNNXBMFYSA-N 470.430 1.784 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)Cc1ccsc1Br 2218987835 QFVAQGJVIMDIAL-ZETCQYMHSA-N 468.132 1.907 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1c(F)cccc1I 2267701926 ZSUKQKJPBLOBJR-IMTBSYHQSA-N 462.078 1.721 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc21 2268654737 CXXKTFBXFJQRSE-HRAATJIYSA-N 454.332 1.754 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(F)c(B(O)O)c2)CCN(Cc2ccccc2)C1 2268718130 OUFJTSRWBXZGBR-HSZRJFAPSA-N 457.311 1.613 50 10 JDGE C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2283945988 IHZVTNSJMCPEPT-JXFKEZNVSA-N 470.331 1.570 50 10 JDGE CCc1ccccc1OCC(=O)NN[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9562373 JYOZHPOMLOBREQ-KRWDZBQOSA-N 490.582 1.297 50 10 JDGE Cc1cc(/C=C(\C#N)C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F 920289703 AMQJQGFWKLZMBN-WAGPWIPHSA-N 472.542 1.902 50 10 JDGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(-c2ccccc2)n1 920430771 APTOSWWTZQHNIM-MNJKBJKMSA-N 478.578 1.702 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770424 HNTDQHBFRKFICU-GFCCVEGCSA-N 489.579 1.551 50 10 JDGE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NS(=O)(=O)CI)CC1 1910107487 NYOQVKZPURPMJP-OAQYLSRUSA-N 467.351 1.274 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(Br)CC2)[C@H]2CS(=O)(=O)C[C@H]21 2163052037 YYNWPVAUEXOADW-UONOGXRCSA-N 466.398 1.684 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCc2cccc(B(O)O)c2)CCN(Cc2ccccc2)C1 2205479988 IUOKKJSXVSLILC-RUZDIDTESA-N 467.375 1.195 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2COC[C@]2(CBr)C1 2226181590 JFKUAGQMBMBSQI-VMDGZTHMSA-N 489.363 1.684 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1sccc1B(O)O)OCc1ccccc1 2243393709 XAFODAHKOYSPBQ-UHFFFAOYSA-N 456.351 1.075 50 10 JDGE CN(CC1CC(Br)C1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249451724 NBRPTNYSCGCHEH-NRXISQOPSA-N 463.350 1.801 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2265133815 GZGNSMSQRPPAOS-JQFCIGGWSA-N 487.372 1.256 50 10 JDGE CC(C)(C)OC(=O)N1CCOC2(CCN(S(=O)(=O)CI)CC2)C1 1983329458 JQSIQSDWCLWNOQ-UHFFFAOYSA-N 460.334 1.811 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCCc2cc(B(O)O)ccc21 2268721968 SOEQGHJWSZYSFX-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCCc2ccc(B(O)O)cc21)Cc1ccccc1 2283916194 OAWYMTZDAHESBR-UHFFFAOYSA-N 467.375 1.673 50 10 JDGE C[C@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B(O)O 2283985444 IYPOEGBWBGYSAJ-HJPURHCSSA-N 489.403 1.844 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CC[C@@H](CBr)O2)C1 2299922455 LACWSXCIRFHBSF-ZDUSSCGKSA-N 457.346 1.631 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cnn(CCOC)c1 59913935 LKAWIMCIVYMUAI-SSDVNMTOSA-N 480.558 1.342 50 10 JDGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1 254877517 SXQZDKPOJIIULP-UHFFFAOYSA-N 475.469 1.419 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccc(Cl)cc1F)c1ccc(S(C)(=O)=O)cc1 1532053517 SXRLLLVSZLUQFF-IBGZPJMESA-N 455.895 1.695 50 10 JDGE COc1cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)ccc1[N+](=O)[O-] 1860771321 QGBAUDKQNMDSFH-UHFFFAOYSA-N 457.468 1.715 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1COC[C@H]1Br 2048706245 KUOXENKCAULKGT-DWQUBVKVSA-N 477.352 1.730 50 10 JDGE CN1[C@H](CCl)N(C(=O)OC(C)(C)C)c2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O 2081067850 NZXDAMLIGSDSPD-LBPRGKRZSA-N 460.361 1.928 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2121586594 GDNFQLQNANOUDF-COXVUDFISA-N 485.400 1.980 50 10 JDGE O=C1CN(C(=O)Cc2ccccc2I)CCN1CCBr 2171073647 AVPUTBZYGACPDW-UHFFFAOYSA-N 451.102 1.899 50 10 JDGE CN(Cc1sccc1B(O)O)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268794579 UAYVFXTZQNNHML-UHFFFAOYSA-N 474.388 1.840 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@H](CCl)O[C@@H]2C1 2279904034 NNRDCWQQFIBLJX-XJTZBENFSA-N 460.911 1.048 50 10 JDGE CC[C@]1(NS(=O)(=O)c2sccc2B(O)O)CCCN(C(=O)OCc2ccccc2)C1 2282071680 VCXUBARNQMOVIG-IBGZPJMESA-N 452.363 1.288 50 10 JDGE COc1cc(C=NNC(=O)[C@@H](Sc2nnc(O)nc2O)c2ccccc2)cc(OC)c1O 2323172715 KIPVQFIQLUSCMW-INIZCTEOSA-N 457.468 1.989 50 10 JDGE CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)c3cc(Br)cn3C)cc2C[C@@H]1C 28680851 AECUNKZNUZAKAX-JTQLQIEISA-N 455.334 1.708 50 10 JDGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NN3CCOCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253624520 FBQSKFBDDWKIAP-GQHPPPAFSA-N 468.547 1.881 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(O)c(OC)c3)nnn2-c2nonc2N)c1 254518744 CUUVTDKKUZLIFO-UHFFFAOYSA-N 464.442 1.776 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)NCCc1cccs1)c1ccc(S(C)(=O)=O)cc1 1583493592 DPQBTAWBEMHGNI-IBGZPJMESA-N 452.558 1.076 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)CCCS(=O)(=O)c3ccc(C)cc3)cnc2s1 1865845144 LCFHCQSZAWMJRF-UHFFFAOYSA-N 476.580 1.730 50 10 JDGE C[C@]1(CBr)COCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2022232645 WUNPQVZUNXJGIZ-GOSISDBHSA-N 459.362 1.736 50 10 JDGE CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H](CCBr)C1 2082729488 CWNUNOPALKRDGS-OAHLLOKOSA-N 472.405 1.794 50 10 JDGE Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B(O)O)s1 2255565396 ILRBUGFJHVTKEQ-UHFFFAOYSA-N 460.361 1.361 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(B(O)O)c(F)c1F 2256664434 CKHPMFLOWNWZAD-INIZCTEOSA-N 450.247 1.693 50 10 JDGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283970335 TVLJDBSQXAQKJP-QAPCUYQASA-N 490.387 1.974 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cc(Cl)cc(B(O)O)c2)C1 2287638614 LJOSQNCMWBRYHU-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE COCCN(C=C(C#N)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 2325045439 WFGBIHSGFJVKRS-CRAIPNDOSA-N 451.545 1.424 50 10 JDGE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NS(=O)(=O)N3CCC(Br)CC3)CO2)C1 2362253152 HPGQIWLJQWTFOD-CQSZACIVSA-N 468.414 1.849 50 10 JDGE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cc(=O)c4ccccc4o3)cc2)C[C@@H](C)O1 27528273 NURKWLOTXJQIEC-HUUCEWRRSA-N 485.518 1.666 50 10 JDGE CCOC(=O)COc1c(Cl)cc(C=NNC(=O)CN2CCOCC2)cc1Br 1084124488 OAPMPEROCYMHAV-UHFFFAOYSA-N 462.728 1.827 50 10 JDGE Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3ccc(Br)cc3)cnc21 1322365814 GIIHHVJSZNFICJ-UHFFFAOYSA-N 484.108 1.116 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cc(F)cc(F)c3F)c2)CC1 1640578261 GELNPJSBHQYTFX-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3nc4ccccc4n3C)c2)CC1 1641541741 AFRAUOJDQDOPOK-UHFFFAOYSA-N 456.528 1.183 50 10 JDGE O=S(=O)(CI)N=c1[nH]cc(Br)nc1Br 1884477610 JNZQZJMOLSJEFF-UHFFFAOYSA-N 456.885 1.558 50 10 JDGE O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)CI)C1)C(F)(F)F 1983328228 VJCVIYFOJWPYLA-WDSKDSINSA-N 468.157 1.783 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](CBr)[C@H]1OC 2218190289 PSBLICFQGADFND-ARFHVFGLSA-N 475.361 1.112 50 10 JDGE CN(Cc1ccc(B(O)O)s1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256672731 MGMRGQXBEIJTQB-QGZVFWFLSA-N 462.377 1.887 50 10 JDGE COc1cc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2273773076 OOULVQBSQKMRGW-IBGZPJMESA-N 458.320 1.101 50 10 JDGE N#CC(=Cc1ccc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc1)c1nn(CCO)c(N)c1C#N 2296736263 SLDWQWCWXOAYKY-UHFFFAOYSA-N 480.492 1.100 50 10 JDGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccc(F)cc3)c2[N+](=O)[O-])cc1 40657961 XQUYXRSDWDZYNQ-UHFFFAOYSA-N 461.435 1.895 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1O 254706424 UPSPBNFJCZOYEF-LBPRGKRZSA-N 455.479 1.085 50 10 JDGE COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872963023 YLLLROKTYNCCNW-WOJBJXKFSA-N 465.554 1.863 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC(OCCCBr)C1 2026039459 QNZVHTBVBSGCCN-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2182444800 IWMHLAPIVUYIMZ-MRXNPFEDSA-N 474.393 1.656 50 10 JDGE O=C(NCCNS(=O)(=O)Cc1cccc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2247881263 UZUOCVNJOJUSRC-UHFFFAOYSA-N 480.351 1.325 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(B(O)O)c1F 2282324032 JXNOLJDXXWNSRE-UHFFFAOYSA-N 483.346 1.434 50 10 JDGE COc1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)C3CCC3)n[nH]2)cc(OC)c1OC 59883762 RAAPOBNRJCRMAF-AWQFTUOYSA-N 463.520 1.316 50 10 JDGE COc1cc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc(OC)c1O 169891662 KIPVQFIQLUSCMW-LIQPLZLLSA-N 457.468 1.165 50 10 JDGE C#CCOc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1 1682560132 MMLLTPNJTAHZPL-UHFFFAOYSA-N 458.540 1.873 50 10 JDGE Cn1nc([C@@H](Br)CS(=O)(=O)N2CCOCC2)c(Br)c1Cl 2167035185 WKSGVKFHNQDMNM-ZETCQYMHSA-N 451.568 1.934 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1B(O)O 2247881975 HZGZXAKHFLJSJG-UHFFFAOYSA-N 468.406 1.760 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(B(O)O)cc2Cl)C1 2282884492 OXBJMVWOFKXGSA-IBGZPJMESA-N 487.793 1.871 50 10 JDGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 33792329 LLOXWYUYKBVEIB-IRVMHKCDSA-N 480.502 1.706 50 10 JDGE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc3cccnc23)C1 728211334 SPFMFUUNMGMDAH-INIZCTEOSA-N 456.528 1.437 50 10 JDGE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 728889449 JKCJMOLGQOPVGV-IBGZPJMESA-N 471.537 1.504 50 10 JDGE Cc1ccccc1CC(=O)N1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728962005 UJCTWEKLTGSCHI-UHFFFAOYSA-N 465.558 1.129 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)cnc2s1 1865844889 CBKKDNCRIZSAET-UHFFFAOYSA-N 467.507 1.486 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)Cc1ccsc1B(O)O 2243412451 MZMNEDDQAZZOHC-UHFFFAOYSA-N 454.379 1.285 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(F)c(B(O)O)c1 2268644120 NNVJBFYRINZMPI-SFHVURJKSA-N 460.267 1.471 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c2C1 2283987898 OJSRGHZKYXWQQS-JOCHJYFZSA-N 467.375 1.276 50 10 JDGE COC(=O)[C@@H](I)CNC(=O)c1c(Br)c(Br)nn1C 2316701550 PAFFCVCZVWOFKQ-BYPYZUCNSA-N 494.909 1.652 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 1651315017 GWYZMVRCRITGDD-UHFFFAOYSA-N 456.471 1.983 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2076785697 WCEDYPQXMMLDPT-XOBRGWDASA-N 495.664 1.742 50 10 JDGE CC[C@H](C)[C@@H](CI)NS(=O)(=O)c1c(Br)nnn1C 2081253914 QUPRTRSLEJEXHG-NKWVEPMBSA-N 451.128 1.706 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B(O)O)cc1 2140557936 OTEHOYUFKQQPMU-DYESRHJHSA-N 456.348 1.524 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)Cc1ncsc1Br 2218985244 DQGYHKPRPYVWJI-RXMQYKEDSA-N 469.120 1.302 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2233980782 ZTNZJIZPJNZFGV-SOUVJXGZSA-N 465.366 1.201 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCCc2cc(B(O)O)ccc21)Cc1ccccc1 2283915449 DQSUZSYJKBJSJS-UHFFFAOYSA-N 467.375 1.673 50 10 JDGE O=C(NN=Cc1ccncc1)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NN=Cc1ccncc1 252628182 SKBXZVIJAKYBST-UHFFFAOYSA-N 484.436 1.493 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)COc3ccccc3Br)[C@H]2C1 1478773071 ZKNGFVFZMDJIRK-DZKIICNBSA-N 453.337 1.805 50 10 JDGE C#CCCCCC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1641101462 OSPJTPXCKDYHRS-QGZVFWFLSA-N 451.545 1.294 50 10 JDGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)CI)OCc1ccccc1 1881750126 PWUJHWLMVVHYAT-QWHCGFSZSA-N 454.286 1.382 50 10 JDGE C[C@@]1(CBr)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2049902617 AOGNKKLTKLURPP-QZTJIDSGSA-N 477.352 1.826 50 10 JDGE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCO1 2106767316 OMJAHBJBIIVCEE-TZMCWYRMSA-N 456.403 1.705 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)Nc1nccc(B(O)O)c1F 2223651891 ZMBBKMRUGZFVGT-UHFFFAOYSA-N 456.324 1.511 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2265133814 GZGNSMSQRPPAOS-COXVUDFISA-N 487.372 1.256 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B(O)O)ccc1Cl 2267351040 RSLWJGWCGRXQCS-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE CC1=N[C@]2(/C(C)=N/NC(N)=O)[C@@H](C[C@@H]3[C@@H]4CCC5=C/C(=N\NC(N)=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]32C)O1 1848436074 PAELSKDZRPCXOH-DOKXBWKKSA-N 497.600 1.930 50 10 JDGE CC1(C)CC(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)CC(C)(C)N1 1872962162 QMYMMNOJHIAFHX-ZWKOTPCHSA-N 470.618 1.921 50 10 JDGE CC(=O)NC(=Cc1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccccc1Br 2042438291 PPJQLVYKWWACLA-UHFFFAOYSA-N 460.284 1.931 50 10 JDGE O=S1(=O)CCN(S(=O)(=O)N(Cc2ccccc2)C2(CBr)CCC2)CC1 2045261495 SVGZPDXZEIHGEE-UHFFFAOYSA-N 451.408 1.781 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2268653060 KEIJJAZKXGJZHL-YZVOILCLSA-N 477.392 1.841 50 10 JDGE COC(=O)[C@H](I)CNC(=O)c1c(Br)c(Br)nn1C 2316701551 PAFFCVCZVWOFKQ-SCSAIBSYSA-N 494.909 1.652 50 10 JDGE CCN(CC)C(=O)CN1C(=O)C(=NNC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc21 1084101008 IJOSAIBZFCTGEX-UHFFFAOYSA-N 453.455 1.709 50 10 JDGE CN(C)[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2029427435 YFHJWTUYJXOUPG-IRXDYDNUSA-N 472.405 1.792 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCc1nnc(CBr)s1 2072476339 LWJKMIJJQYUTNR-MRXNPFEDSA-N 491.364 1.877 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)c(OC)c1OC 254393399 IWPNLGOWCPEUGD-CYBMUJFWSA-N 499.532 1.397 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3ccc(OCC(=O)O)cc3)nnn2-c2nonc2N)c1 254397946 GIRZIRKJQSVBHJ-UHFFFAOYSA-N 478.425 1.135 50 10 JDGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O 729276618 IVEBYOQNWHCHIR-IINYFYTJSA-N 467.375 1.223 50 10 JDGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 1083945472 RZKRDNHMLZDHSN-NRFANRHFSA-N 468.510 1.848 50 10 JDGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 1084512650 OEFKKRPSJJMTGC-UTKZUKDTSA-N 452.511 1.688 50 10 JDGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(=O)n(C)cc2Br)cc1 1220289522 GXGNXYMQDZCIGH-LLVKDONJSA-N 451.277 1.971 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1C[C@@H](Br)CCO1 2046028625 JVZXSROHGOFNJM-JCGVRSQUSA-N 477.352 1.873 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B(O)O)c(F)c2)CCN1C(=O)OC(C)(C)C 2266948825 IOJSBYZDNROCCX-UHFFFAOYSA-N 467.303 1.351 50 10 JDGE Cc1cc(B(O)O)cc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2282277490 RUPIKAFVSILMGB-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 14645268 OEHFMNXBBBIUKI-UHFFFAOYSA-N 486.550 1.853 50 10 JDGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 725434597 DDXIABRDZIYFKN-LJQANCHMSA-N 468.510 1.766 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](OCCNS(=O)(=O)N2CCC(Br)CC2)C1 2109126524 UXXXTGQJLGASGY-AWEZNQCLSA-N 456.403 1.706 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(B(O)O)c2)CCN1C(=O)OC(C)(C)C 2247869417 RCZCGLRKBOLZLD-UHFFFAOYSA-N 455.342 1.273 50 10 JDGE O=C(NCC(=O)N1CCc2cc(B(O)O)ccc2C1)OCC1c2ccccc2-c2ccccc21 2248402610 YYWGZQRMJVFWTQ-UHFFFAOYSA-N 456.307 1.790 50 10 JDGE Cc1cnc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2255558220 LOGDFWNHGGZLGE-UHFFFAOYSA-N 475.310 1.660 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N=c1ccc(Cl)c(B(O)O)[nH]1 2256671188 OVXRFZLMAIYPRQ-OAHLLOKOSA-N 463.727 1.275 50 10 JDGE CN(Cc1ccccc1B(O)O)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268678153 FNLNBYDAQIASJG-FQEVSTJZSA-N 456.348 1.825 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 2282232755 DOAJYFCZLJYNBZ-IBGZPJMESA-N 471.338 1.357 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCc2ccccc2B(O)O)C1 2284015927 UJXCOBDLWXEBNK-RUZDIDTESA-N 468.359 1.827 50 10 JDGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2ccc(F)cc2)c1[N+](=O)[O-] 40657960 QTOBEVQMFINWIZ-UHFFFAOYSA-N 470.377 1.875 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCCCI 703981084 NRMUOMHDFSFHDN-UHFFFAOYSA-N 450.298 1.807 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 727501190 LUAWAZDEGMJYNS-UHFFFAOYSA-N 458.565 1.629 50 10 JDGE O=C(Cn1ncc2ccccc21)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 730511964 FKQQMFZFEGWTAO-UHFFFAOYSA-N 463.519 1.976 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cc(F)c(F)cc3F)cc2)CC1 1295114376 CXZMBGORZNIBOA-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2C1=O 1568932597 GGZFJSIFBIFDRY-HNNXBMFYSA-N 456.499 1.877 50 10 JDGE C#CCN1CCN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)CC1 1648424883 CEVQNRJVHVTEQG-JXAWBTAJSA-N 450.930 1.763 50 10 JDGE Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(C=NNC(=O)Cn3ccc(C(F)(F)F)n3)cc12 2069678906 KMJRNVRTFJUREC-CYBMUJFWSA-N 469.449 1.465 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B(O)O 2256620741 MDADEOYUNBUKHG-KXBFYZLASA-N 462.377 1.885 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B(O)O 2256624279 MDADEOYUNBUKHG-HNAYVOBHSA-N 462.377 1.885 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B(O)O)s2)CCN(Cc2ccccc2)C1 2256677944 JAQQUDYLLUJUTA-JOCHJYFZSA-N 459.377 1.214 50 10 JDGE Cc1scc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)c1B(O)O 2369535087 VWMFZQFYATVJIU-UHFFFAOYSA-N 497.423 1.666 50 10 JDGE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 33792328 LLOXWYUYKBVEIB-RTYFKUQISA-N 480.502 1.706 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 2040426278 PWQXPMKUABXRMY-UHFFFAOYSA-N 459.446 1.975 50 10 JDGE CN(C)CCN(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046019076 MCBUDMLZYXGSPR-GOSISDBHSA-N 478.384 1.599 50 10 JDGE CO[C@@H]1C[C@@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046029913 UMCCTHKZXSZFIB-VEVIJQCQSA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2S(=O)(=O)N1CCC(Br)CC1 2106782081 NSNDFXRXRUTVST-UONOGXRCSA-N 454.387 1.411 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCCc2cc(B(O)O)ccc21 2268718571 SOEQGHJWSZYSFX-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE CC(=O)O[C@H](CBr)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](CBr)OC(C)=O 77313338 UKPLTNPGLVFJHC-MQYQWHSLSA-N 476.114 1.503 50 10 JDGE in-vitro COc1ccc(CCNC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 216927323 UKSRIDUWJAMFIC-ZZEZOPTASA-N 454.552 1.768 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)c1sccc1Br 300037131 CDBIHEJYBXWGJX-ZCFIWIBFSA-N 454.105 1.766 50 10 JDGE O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727479351 JHBQGGRNTOUGMT-GOSISDBHSA-N 459.890 1.852 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)N(C)C[C@@H]1C[C@@H]1Br)NC(=O)OCc1ccccc1 2249450841 PHOOOCLXNUXQQN-SOUVJXGZSA-N 463.350 1.499 50 10 JDGE CCc1c(C)n[n+]2cnn(CC(=O)N/N=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2c1O 3045007 ATOSFJDUDDHAAL-LSHDLFTRSA-O 450.435 1.912 50 10 JDGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOC)cc1 14660735 HUEZKQCKUCGGNV-UHFFFAOYSA-N 489.550 1.993 50 10 JDGE COC(=O)C(=O)C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)cc1 96905127 AVWWDKKFRUSNCA-HIXSDJFHSA-N 487.534 1.282 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(F)(F)[C@H](CBr)C1 707478462 XLEKNQBOCIYNQK-LLVKDONJSA-N 451.289 1.965 50 10 JDGE COc1cccc(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 1083960890 KPRYLSGIHSQCPH-UHFFFAOYSA-N 472.443 1.726 50 10 JDGE CN(C)[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 1942272148 ADMMEIAOTHCKOP-HOTGVXAUSA-N 458.378 1.402 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)C[C@H]1CCOC1 2019202564 MQTVRDGARPYMEG-KGLIPLIRSA-N 459.362 1.782 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2256621273 SDJRWTDXENDEPE-DYVFJYSZSA-N 463.727 1.852 50 10 JDGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(O)c(OCC)c2)nnn1-c1nonc1N 20037851 ZHFWZQVJWPPRLX-FSJBWODESA-N 471.522 1.723 50 10 JDGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1OC 254759646 OTVVEYOJTREXCB-UHFFFAOYSA-N 495.510 1.774 50 10 JDGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNC(=O)c3scnc3C)cc2)CC1 729610007 RSGZAGMUJMCVAJ-UHFFFAOYSA-N 474.587 1.181 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1COC[C@H]1Br 2000540782 QIALQQHUARWIDM-ZLENFMNRSA-N 463.325 1.340 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2029435380 MINGZVBRAYNUEX-HZPDHXFCSA-N 472.405 1.648 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106775326 WHVFNLYMOHPLFK-MRXNPFEDSA-N 456.403 1.442 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2OCCC[C@]2(CBr)C1 2222903995 CNPNICVGAWHFCV-LPHOPBHVSA-N 471.373 1.878 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2256606999 XOYQZCKHCGWNFX-KRWDZBQOSA-N 462.377 1.853 50 10 JDGE CN(Cc1cccc(B(O)O)c1)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268606890 CAGRDMOZTNNDEJ-NRFANRHFSA-N 456.348 1.825 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B(O)O 2289665975 RZRHLXOSGHKWFR-HRAATJIYSA-N 474.338 1.663 50 10 JDGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623619 ONXIYCQZJAKVFC-OAGJVSPASA-N 467.507 1.679 50 10 JDGE NNC(=O)c1ccc(Cn2cnc(I)c2I)s1 379721851 HEDYURJWFDNGLN-UHFFFAOYSA-N 474.065 1.806 50 10 JDGE COc1cc2c(cc1OC)[C@H](CC(=O)NN=Cc1cnn3ccccc13)N(S(C)(=O)=O)CC2 729636658 MXVZPJYJSSAJJD-IBGZPJMESA-N 471.539 1.751 50 10 JDGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNS(=O)(=O)c1ccc(Cl)cc1 1860770682 ROLISTMXGMEGMT-UHFFFAOYSA-N 452.945 2.000 50 10 JDGE CCOC[C@@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540975 HMVBOLUSWARBPF-SJCJKPOMSA-N 465.341 1.730 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](Oc2ncc(Br)cc2B(O)O)C(F)(F)CC1 2240316450 RCXZQYBHPGPUKW-LBPRGKRZSA-N 451.073 1.938 50 10 JDGE COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2267383331 XRNMHRWEQWFYFO-UHFFFAOYSA-N 476.360 1.185 50 10 JDGE Cc1ccc(B(O)O)c(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c1 2268637917 GGUSOZWRWYUCKB-IBGZPJMESA-N 456.304 1.640 50 10 JDGE C=CCCn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nn1 1463674061 IHOLDGMPMXLDRE-UHFFFAOYSA-N 454.512 1.408 50 10 JDGE CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 1628561830 QMKLCVVRZWKNJJ-QFIPXVFZSA-N 458.540 1.185 50 10 JDGE CC(=O)c1cccc(OCC(=O)NNC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 1629814411 XGOBNJUJUSOULV-UHFFFAOYSA-N 458.946 1.887 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)NNC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 1858082172 MNPQLSBUCSPXSG-UHFFFAOYSA-N 459.503 1.356 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC[C@@H]1CBr 2000543796 NOCPEVTZIIODME-KHIZAZIESA-N 463.325 1.340 50 10 JDGE CC(C)(C)OC(=O)N1CC[S@@](=O)(=Nc2ncc(Br)cc2B(O)O)C(C)(C)C1 2240339121 LBMVPTPQUTYPHT-MHZLTWQESA-N 462.175 1.653 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B(O)O)cc1F 2269697996 OYLQJJZNCDIIPN-FOIQADDNSA-N 460.311 1.620 50 10 JDGE Cc1ccccc1OCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1 100046082 ULAKMNBJHPIYOY-UHFFFAOYSA-N 490.516 1.983 50 10 JDGE COc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1 254791580 NASDAEFRAFUYKK-UHFFFAOYSA-N 473.497 1.563 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc2c(c1)OCO2 254876424 XIEOPYZDBOTODW-UHFFFAOYSA-N 475.469 1.752 50 10 JDGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1 1084474996 BVSPNHFCDFUWAD-HXUWFJFHSA-N 454.483 1.458 50 10 JDGE C=C[C@H](CO)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1585421612 JSUYRQWPZPTFQV-XMCSSRMMSA-N 458.316 1.758 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(I)C1 1904389269 DKRAOCSIAQOVDF-OAHLLOKOSA-N 466.272 1.460 50 10 JDGE CC(C)(C)OC(=O)NC12CCC(CNS(=O)(=O)CI)(CC1)OC2 1983333073 DGTATFBOZCFNEW-UHFFFAOYSA-N 460.334 1.905 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2008658344 AFOLGFQCSYKDNS-KCXAZCMYSA-N 457.346 1.344 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cccc(F)c1I 2121328934 GPLDPUALFBUCOD-CBAPKCEASA-N 462.078 1.721 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]2COC[C@@H]21 2132566107 BYHCPJNUZGUFCN-KBPBESRZSA-N 454.387 1.411 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256679506 XHRKKZFQXIMEQO-SFHVURJKSA-N 462.377 1.887 50 10 JDGE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(B(O)O)s1 2267425649 SOWOPVNJOWHKKN-SFHVURJKSA-N 473.404 1.588 50 10 JDGE Cc1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc(C)c1B(O)O 2281863602 YEHODWPJOVASGT-UHFFFAOYSA-N 479.383 1.475 50 10 JDGE COc1cc(C=C2SC(=S)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)ccc1O 2297313672 DAXUKZHZALSNFR-UHFFFAOYSA-N 459.505 1.769 50 10 JDGE COc1nc(Sc2cc(I)ccc2Br)ncc1B(O)O 2363625573 POCXTHQYBVQENI-UHFFFAOYSA-N 466.891 1.683 50 10 JDGE CC(=O)OC[C@H]1O[C@@H](Cl)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 22054439 YRXSTYGMBJFQAY-CWQOZTLDSA-N 453.831 1.041 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1OC 252636568 XKIMDDLRVDDWSX-UHFFFAOYSA-N 479.413 1.589 50 10 JDGE CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 853447617 IFVFDMBEALKCHG-IGCAKMCNSA-N 474.521 1.993 50 10 JDGE C=CC(=O)N(CC)CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1135408750 HOXAKFXAWKMVMP-UHFFFAOYSA-N 458.540 1.900 50 10 JDGE COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H](Br)[C@H](OC)N1C(=O)OC(C)(C)C 1531865484 OQEGSELLFXSYFT-OSFYFWSMSA-N 465.341 1.522 50 10 JDGE CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1566279043 BHNZZWFNXZKBMD-STZFKDTASA-N 455.584 1.499 50 10 JDGE CN(C)c1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961595 MEKHACPIXUOMQV-ROUUACIJSA-N 450.543 1.882 50 10 JDGE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106780765 BKVFQYYIJFGSJX-SCVCMEIPSA-N 450.321 1.868 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2256624037 UHJBLRXBECTYQQ-INIZCTEOSA-N 462.743 1.379 50 10 JDGE CC(C)(C)OC(=O)NCCCC[C@H](NS(=O)(=O)N1CCC(Br)CC1)C(=O)O 2289603561 JMVHPQNEKRXLBJ-ZDUSSCGKSA-N 472.402 1.828 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCOCC2)[C@@H]1CBr 2327761389 OWWPPMXHHVVYPH-INIZCTEOSA-N 471.373 1.878 50 10 JDGE O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 22788491 ZEKUQUVZPKEVHW-UHFFFAOYSA-N 462.554 1.211 50 10 JDGE COC(=O)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccc(NC(C)=O)cc1 254391401 ZVBFWMQCJZPQAJ-GOSISDBHSA-N 454.399 1.996 50 10 JDGE COc1cccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)NN=Cc2ccccc2O)c1 606630592 XJTXEHDNRUQJIH-UHFFFAOYSA-N 477.481 1.042 50 10 JDGE CN(C[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCO1)C(=O)OC(C)(C)C 2106774764 YZDUFDZUCZODEA-CQSZACIVSA-N 456.403 1.658 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 2179867808 AVMNYVSPBXEHJA-IRXDYDNUSA-N 455.378 1.969 50 10 JDGE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267386214 RLRIBKLPTPFLJV-ZIAGYGMSSA-N 458.754 1.159 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)s1 2268639999 SXRSQIWVDNNVNN-LJQANCHMSA-N 475.420 1.720 50 10 JDGE COC(=O)[C@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2320337437 MVLSHBCPGMZBIP-HNNXBMFYSA-N 475.361 1.699 50 10 JDGE COc1cccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1O 20923518 ACOXCFKURMJELT-ZVBGSRNCSA-N 459.463 1.657 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccncc1)C=2C(=O)Nc1ccc(C)c(C)c1 33675818 CHGOOLRPWCXHFD-OBXYEHHASA-N 487.541 1.113 50 10 JDGE C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1I)[C@@H]2[C@@H]3C(=O)O 1848441423 WLHKCLCEVMWIKC-JYXPTPEGSA-N 474.291 1.665 50 10 JDGE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961561 LWRYNOIPSMEDRM-IRXDYDNUSA-N 467.526 1.834 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)CI)CC1 2056597056 FCDQEFYRVNAKCR-GFCCVEGCSA-N 487.360 1.252 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2132545223 USZOKYFASMTMLI-IECZYAKXSA-N 489.363 1.682 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Cl)cc1B(O)O 2255499870 FCXISQGBRLHUEP-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE Cc1ccc(B(O)O)c(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2266956001 QXQWXHZTRUMZTK-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE CCc1cc(B(O)O)ccc1NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268632625 MFLRPWQEHXYKDF-OAQYLSRUSA-N 455.364 1.893 50 10 JDGE Cc1cc(B(O)O)c(F)c(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2281905684 FBGZRLLVXBPIAH-UHFFFAOYSA-N 483.346 1.306 50 10 JDGE COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 58990055 GEOYLWYSZFHPSH-UFFVCSGVSA-N 457.472 1.827 50 10 JDGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)ccc1OC 254767201 XQSKWCOUCAVNNV-UHFFFAOYSA-N 493.440 1.979 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2256679760 ZEOUFJPNGOKIOS-GOSISDBHSA-N 462.377 1.805 50 10 JDGE N#CC(=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)N1CCOCC1 2296846593 ALEYDWCOEOVOKC-UHFFFAOYSA-N 470.533 1.787 50 10 JDGE COc1ccc(/C=C\C(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N1CCOCC1 97674716 NCUUZWARDDMDKI-NTMALXAHSA-N 489.550 1.264 50 10 JDGE O=C(NN=Cc1ccc2c(c1)OCO2)c1nonc1C(=O)NN=Cc1ccc2c(c1)OCO2 1083900268 FXMLTCYJBQOUOH-UHFFFAOYSA-N 450.367 1.055 50 10 JDGE C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 1564772224 VWWUDBUUQGZWNP-AEFFLSMTSA-N 460.512 1.784 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCOC[C@H]1CBr 2072950810 IDXOCQXOLMIHMF-DWQUBVKVSA-N 477.352 1.730 50 10 JDGE COc1cc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2247785223 HTMUGDHNODXVFE-UHFFFAOYSA-N 460.295 1.644 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060296 ZMNPKARQYPYZBR-XMMPIXPASA-N 469.347 1.483 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@H](CCl)[C@@H](I)CCl)CC1 2295784203 HRUZACOLGQBTLF-WDEREUQCSA-N 459.177 1.924 50 10 JDGE CN1C(=O)/C(=N\NC(=O)CCCCCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c2ccccc21 102970876 WJNJEIHZKQTDSG-UNVYMFJTSA-N 474.521 1.931 50 10 JDGE COc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc(OC)c1OCc1ccccc1 169924724 YKNMMCIMHUAKCA-MSXFZWOLSA-N 452.467 1.661 50 10 JDGE C[C@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 1084548818 YKINTBRQXXPMQX-LAUBAEHRSA-N 452.511 1.688 50 10 JDGE O=C(NCCCCN1CCN(c2ncccn2)CC1)NNC(=O)c1ccc(Br)cc1 1318294746 FCNCPFYMNZQLOS-UHFFFAOYSA-N 476.379 1.786 50 10 JDGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860770255 ZVLQEPSTSZEXAU-ZDUSSCGKSA-N 470.551 1.990 50 10 JDGE Cc1nc(NS(=O)(=O)N2CCC(Br)CC2)ncc1I 2133331304 LBSGSPWXNBOPPZ-UHFFFAOYSA-N 461.123 1.906 50 10 JDGE Cc1cc(C=C(C#N)C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(C)n1C1CC1 2297492513 OCXWWWZDOZDEKY-UHFFFAOYSA-N 484.582 1.317 50 10 JDGE Nn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989237 ASEYXCHKNSJVMO-DNTJNYDQSA-N 460.407 1.857 50 10 JDGE COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 217173972 CCPJQCVRWOVAGD-SULWINFOSA-N 458.540 1.768 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)nnn1-c1nonc1N)c1ccccc1 254841724 UOZUFRPBIQIXEA-UHFFFAOYSA-N 491.468 1.096 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Br)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 616585136 GRDUQQNEXMJRRS-IECFSIQFSA-N 498.282 1.198 50 10 JDGE C[C@@]1(CBr)COCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2022232646 WUNPQVZUNXJGIZ-SFHVURJKSA-N 459.362 1.736 50 10 JDGE C=C[C@@]1(CBr)COCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2022254156 QOKOIXPAVGWYLJ-GOSISDBHSA-N 457.346 1.654 50 10 JDGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)Nc2ncc(B(O)O)cn2)c1 2235620509 KYTIJXJJTXESNA-UHFFFAOYSA-N 484.059 1.360 50 10 JDGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNc2ncc(Br)cc2B(O)O)C1 2240337620 UJQLQQRJBHJYMB-JTQLQIEISA-N 450.089 1.828 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(B(O)O)cs1 2255880157 AFPCTTPLXDBLBF-UHFFFAOYSA-N 472.397 1.178 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ccc(F)cc2B(O)O)C1 2266941124 TXPKTSBNIRJPOB-UHFFFAOYSA-N 458.295 1.130 50 10 JDGE COc1cc(C(=O)NN=Cc2ccc(OCC(N)=O)cc2)ccc1I 8723290 LPUZTHCARIGDFX-UHFFFAOYSA-N 453.236 1.928 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccccc3C(=O)O)nnn2-c2nonc2N)cc1 254856004 NVGOONPHNLCSON-UHFFFAOYSA-N 462.426 1.760 50 10 JDGE COc1ccc(C(=O)NNC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c(OC)c1 731220326 CJGXAMXYUWECNU-DLBZAZTESA-N 461.563 1.371 50 10 JDGE COc1cc(C=NNc2nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]2)cc([N+](=O)[O-])c1O 1084483370 YBVDTGILEPFQAA-UHFFFAOYSA-N 466.480 1.159 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2076785695 WCEDYPQXMMLDPT-VBKZILBWSA-N 495.664 1.742 50 10 JDGE Cn1ncc(CNS(=O)(=O)N2CCC(Br)CC2)c1NC(=O)OC(C)(C)C 2106304875 JTKXIRBROWBZSJ-UHFFFAOYSA-N 452.375 1.961 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(N)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297736563 GFJQQPYCTIQFPJ-VCTORANFSA-N 461.559 1.353 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2308993224 HNAHLDWOINPGSN-YRBFXIGRSA-N 475.336 1.435 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c1OC 254509355 UABSJQRCLXKOQJ-UHFFFAOYSA-N 483.533 1.778 50 10 JDGE C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1683132051 YPAZEZNWKOCSMR-AWEZNQCLSA-N 450.542 1.921 50 10 JDGE Cc1c(I)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1B(O)O 1887510528 BLFWSEKVNQODGE-UHFFFAOYSA-N 474.148 1.641 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B(O)O)c1 2140552209 XVISUZOZYUFWHW-UWJYYQICSA-N 456.348 1.524 50 10 JDGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249451723 NBRPTNYSCGCHEH-KKUMJFAQSA-N 463.350 1.801 50 10 JDGE Cc1ccc(CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2296182830 RUKUXIKOICNSRF-FQEVSTJZSA-N 470.331 1.318 50 10 JDGE C=CCn1c(S)nc2cc(C(=O)NNC(=O)[C@H]3CCN3C(=O)OC(C)(C)C)ccc2c1=O 1558448248 YXLDQFNYIQXYMP-OAHLLOKOSA-N 459.528 1.642 50 10 JDGE Cc1nc(I)c(I)n1Cc1ccoc1C(=O)NN 2028586214 OQQLTXANSVIRNY-UHFFFAOYSA-N 472.024 1.646 50 10 JDGE C[C@H](NC(=O)OC(C)(C)C)c1nnc(COc2ncc(Br)cc2B(O)O)s1 2240322547 KADAWGUNHPYQEM-QMMMGPOBSA-N 459.131 1.540 50 10 JDGE Cc1c(Cl)cc(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc1B(O)O 2267358935 HGCPCGAWNTZSRC-UHFFFAOYSA-N 485.774 1.476 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284058835 BSEMAGXUKYPOOA-QMHKHESXSA-N 488.419 1.512 50 10 JDGE CN1CCN(Nc2ncnc(NNC(=O)c3ccc(Br)cc3)c2[N+](=O)[O-])CC1 40623636 AADYFDXYVPOSAN-UHFFFAOYSA-N 451.285 1.479 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)c(OC)c1OC 254877624 XTPHRHNFOPQSOB-UHFFFAOYSA-N 485.505 1.008 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cc(Cl)nc(C)n3)c2)CC1 1626769345 XBEZNCSEXAWUSR-UHFFFAOYSA-N 452.924 1.048 50 10 JDGE OB(O)c1cc(I)c(I)c(OC(F)(F)F)c1 2060031961 GDBDIGFIBYBPJP-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2sccc2B(O)O)C1 2247902336 UXSKHMKGVBHEAU-UHFFFAOYSA-N 468.362 1.170 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1c(F)cccc1B(O)O 2282227148 ABUBYJIPJXUFIT-UHFFFAOYSA-N 483.346 1.434 50 10 JDGE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)NNC(=O)c3ccc(F)cc3)n2)cc1OC 20923224 BBGBSWXQSNOBSZ-LSHDLFTRSA-N 473.490 1.960 50 10 JDGE CCOC(=O)C1=c2s/c(=C/c3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(OC)c1 32939109 WFBHUSZOCLORBA-HNLWVNFGSA-N 489.553 1.918 50 10 JDGE CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 254869071 ZBXRICSIIUTHLD-UHFFFAOYSA-N 496.561 1.263 50 10 JDGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 767310904 ILFDWJYXFICVQQ-UHFFFAOYSA-N 469.361 1.963 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H](CBr)C1 2000541221 HUEZIDMGKCIVSU-YVEFUNNKSA-N 463.325 1.436 50 10 JDGE CO[C@H]1C[C@@](CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2077894178 KGELQOUZAZWCLE-PJSAGSTRSA-N 477.352 1.873 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(B(O)O)cc2Cl)C1 2255883825 NDUXGVSDIRFSMU-UHFFFAOYSA-N 480.779 1.830 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)c(B(O)O)cc2F)CCN1C(=O)OC(C)(C)C 2282700620 ROUTZWUWQXDLGT-UHFFFAOYSA-N 485.293 1.490 50 10 JDGE COc1ccc(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2339739101 NLCIKHQBWSXLCD-SFHVURJKSA-N 458.320 1.814 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H](CBr)C1 2000538552 HUEZIDMGKCIVSU-SJCJKPOMSA-N 463.325 1.436 50 10 JDGE C=C[C@@]1(CBr)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2135136416 WQKVPVTWQIWING-RTBURBONSA-N 489.363 1.993 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccsc2B(O)O)C1 2255483788 JDPMSKJVZFRFCZ-QGZVFWFLSA-N 459.377 1.279 50 10 JDGE Cc1cccc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1B(O)O 2266959368 OBELFCOTFGBFTP-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE C[C@H]1CN(C(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@H](C)O1 217194355 CSGIQRZTXOZYFQ-BVXCDBHHSA-N 468.963 1.816 50 10 JDGE N#C/C(=C/N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCN(CCN)CC1 217262090 IJIDYCDQLRBNPC-LVWGJNHUSA-N 458.610 1.904 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2S(=O)(=O)CI)C1 2007717937 LCPYRCPFNKQRKU-CQSZACIVSA-N 476.333 1.047 50 10 JDGE COc1ccc(C(=O)OCC(=O)C(C#N)=C(C)N)cc1S(=O)(=O)N(C)Cc1ccccc1 2040417225 WRRZSAFSYSBXNU-UHFFFAOYSA-N 457.508 1.998 50 10 JDGE O=C(NCC(=O)N1CCc2ccc(B(O)O)cc2C1)OCC1c2ccccc2-c2ccccc21 2248420647 YGXIQLFUVSMEPX-UHFFFAOYSA-N 456.307 1.790 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCCc2cccc(B(O)O)c21 2268721865 RDUCXSOQERTUBL-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1nn(-c2ccc(F)cc2)ccc1=O 1047909 YJUGLYFAZDSJKI-UHFFFAOYSA-N 472.376 1.894 50 10 JDGE COc1ccc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OCc1ccccc1 254851765 QWEBYSRAVAWSHY-UHFFFAOYSA-N 476.493 1.172 50 10 JDGE CC(C)NC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 745146208 CBVGGCLXOZPOGF-UHFFFAOYSA-N 453.565 1.050 50 10 JDGE C=CCn1c(S)nc2cc(C(=O)NNc3ccc(S(=O)(=O)N(C)C)cc3)ccc2c1=O 1611369341 NYANMUGYKGFGGL-UHFFFAOYSA-N 459.553 1.878 50 10 JDGE C=CC(=O)Nc1ccc(O)c(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 1636680435 IEVZYLJHYYHJLA-UHFFFAOYSA-N 459.528 1.210 50 10 JDGE O=C(NOCCCN=c1cc(B(O)O)c(F)c[nH]1)OCC1c2ccccc2-c2ccccc21 1903011008 VYVILPPYTXMYAU-UHFFFAOYSA-N 451.263 1.595 50 10 JDGE O=C(NC[C@H]1Cc2ccccc2CN1S(=O)(=O)CI)C(F)(F)F 2007720552 KLNVVJWQZIBPKX-LLVKDONJSA-N 462.231 1.814 50 10 JDGE Cc1sc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c(B(O)O)c1C 2266983053 NHBDBRDDFBBBHD-UHFFFAOYSA-N 483.396 1.890 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(B(O)O)ccn2)CCN(Cc2ccccc2)CC1 2268635512 RSMAGWZLMPZOPW-UHFFFAOYSA-N 454.336 1.259 50 10 JDGE Cc1cc(S(=O)(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)sc1B(O)O 2282421250 LJFGHBZNCWWYBX-INIZCTEOSA-N 452.363 1.063 50 10 JDGE CCOc1cc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1 18883213 DBKONSVKLGESBX-SSDVNMTOSA-N 455.496 1.678 50 10 JDGE CC(=O)c1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1 1135697590 MDYJJFBKMGNRSS-UHFFFAOYSA-N 452.492 1.838 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)cc(B(O)O)c1 2255745818 SSGGNESRKYWSEY-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2c(F)cccc2B(O)O)C1 2266947213 IZSCDWXTIUSAEN-UHFFFAOYSA-N 458.295 1.130 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(B(O)O)c1 2267299526 ABEKKKDQUBLMIJ-UHFFFAOYSA-N 465.356 1.294 50 10 JDGE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2289508396 KTRLQFQJWWOLPP-DZGCQCFKSA-N 470.430 1.952 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2CCOCCI 2326642443 SJWKKUADBSSDJR-QGZVFWFLSA-N 467.348 1.640 50 10 JDGE Cc1csc([C@@H](C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 727942393 IYUUUMPTBODLJX-CYBMUJFWSA-N 453.546 1.178 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)Cn1ccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 1144730231 NFVITKJLYNIANQ-QFIPXVFZSA-N 456.524 1.244 50 10 JDGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 1672588232 VPIQLLFXAURICL-INIZCTEOSA-N 454.483 1.982 50 10 JDGE O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NNS(=O)(=O)c1ccc2nc(O)oc2c1 1860770812 XSMRPYUCJLZICJ-UHFFFAOYSA-N 497.514 1.982 50 10 JDGE Cc1nc(I)c(I)n1Cc1ncccc1C(=O)NN 2088986863 BJTVEZXAQMROEK-UHFFFAOYSA-N 483.051 1.448 50 10 JDGE COc1ccc(Br)cc1/C=N/Nc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1 20834848 YLLXCOMCMNGVTL-PTXOJBNSSA-N 496.269 1.824 50 10 JDGE O=C(CNC(=O)c1ccccc1I)NNC(=S)NCc1ccccc1 28621113 LOZYGIKTNHWBLY-UHFFFAOYSA-N 468.320 1.717 50 10 JDGE CCOC(=O)C1=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 33930771 MJVDVUXZTWTADF-OABJIQBASA-N 489.553 1.918 50 10 JDGE CCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2C(N)=O)cc1 254869482 WSDZFJOXIQOWLJ-UHFFFAOYSA-N 490.484 1.106 50 10 JDGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CB(O)O)C(=O)O 2010397200 KKUBXNNVNVMPKK-WVFSVQOHSA-N 468.315 1.982 50 10 JDGE O=S(=O)(N=c1[nH]cc(Br)nc1Br)N1CCC(Br)CC1 2105890531 DVNRZNNIHJQMBY-UHFFFAOYSA-N 478.992 1.940 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 2177845712 IIPTXKHMJVKRNR-APPZFPTMSA-N 467.588 1.941 50 10 JDGE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2248405582 VFLQCRCXMCAFAB-YJYMSZOUSA-N 480.355 1.532 50 10 JDGE Cc1cc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2273766324 SWTTXSLIJPECKR-HXUWFJFHSA-N 456.348 1.791 50 10 JDGE CC(C)(C)OC(=O)NCC1(Nc2cc(B(O)O)c(F)cn2)CCN(Cc2ccccc2)CC1 2343947547 JITTYTRQTFKXKO-UHFFFAOYSA-N 458.343 1.872 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(N)=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530455 GFJQQPYCTIQFPJ-SOFVYPQCSA-N 461.559 1.353 50 10 JDGE biogenic CC(=O)N[C@H](C(=O)NNC(=O)Cc1nc2ccccc2n1C)c1cccc(Br)c1 1649390628 RFVICZUDEXNUCH-IBGZPJMESA-N 458.316 1.903 50 10 JDGE C[C@@H](C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873777813 STEZRELTNCRYBJ-DZGCQCFKSA-N 465.466 1.146 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](I)[C@H](OC2CCN(S(C)(=O)=O)CC2)C1 2249187375 HOGQIURRTLRDBY-CHWSQXEVSA-N 474.361 1.850 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCc2ccc(B(O)O)s2)C1 2268717329 KKAAQCCEWSXVHO-QHCPKHFHSA-N 474.388 1.888 50 10 JDGE COc1ccc(NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2339736811 FDKFUWQNWWPVNW-IBGZPJMESA-N 457.336 1.339 50 10 JDGE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(/C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 33688825 IUPNHUWQAIQYOP-RTYFKUQISA-N 480.502 1.706 50 10 JDGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccncc3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594105 TVUGMTPOABEDGC-UHFFFAOYSA-N 467.398 1.854 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CC[C@@H]3CCCN(C(=O)CCl)C3)nc2)OC1(C)C 204881909 DRBARNNIVUDFNR-AWEZNQCLSA-N 457.789 1.417 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2121586595 GDNFQLQNANOUDF-JQFCIGGWSA-N 485.400 1.980 50 10 JDGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@@H]2OCC[C@@H]21 2162594897 SFGWSIVCZMUATF-KKUMJFAQSA-N 468.414 1.847 50 10 JDGE Cc1ccc(OCC(=O)NNC(=O)CCc2nc(=O)c3cnn(-c4ccccc4)c3[nH]2)cc1C 17203920 IIWRBNNBTPXVBW-UHFFFAOYSA-N 460.494 1.885 50 10 JDGE Nc1cc(=O)nc(SCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1 59060633 PCQVTAXGZUHIHF-UHFFFAOYSA-N 474.886 1.930 50 10 JDGE C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1 255966552 CEQVQMNZNBHDOW-YSSFQJQWSA-N 454.483 1.566 50 10 JDGE C=CC[C@@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1636883266 NZFGPAOCQVYQPD-VQIMIIECSA-N 450.561 1.786 50 10 JDGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860771138 LBMBREPRZFNQBN-UHFFFAOYSA-N 489.579 1.048 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H](CBr)C(F)(F)C1 1937078238 BSZCHXRLXORDGI-NSHDSACASA-N 451.289 1.965 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1C[C@H](Br)CCO1 1948600564 BLQXNJNRPVEODU-KGLIPLIRSA-N 459.362 1.925 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN2C[C@H](Br)C[C@@H]2C1 2108231335 PGWWFPAQFFFLPC-LPMFXHHGSA-N 488.379 1.494 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(Br)CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 2163052036 YYNWPVAUEXOADW-KGLIPLIRSA-N 466.398 1.684 50 10 JDGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(C(=O)OCc3ccccc3)[C@@H](C)C2)sc1B(O)O 2282371903 QSSMTQCYVPCNOA-GJZGRUSLSA-N 452.363 1.156 50 10 JDGE CCOc1ccccc1C=NNC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 254854645 QDBFCMKJZKEHJU-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE CC(=O)O[C@@H](CBr)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](CBr)OC(C)=O 1085194952 UKPLTNPGLVFJHC-XUXIUFHCSA-N 476.114 1.503 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCOCCCBr 2000532167 HUZHSBPOQCGEKB-KRWDZBQOSA-N 465.341 1.732 50 10 JDGE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCCO1 2106777900 XUINUSGQILXQJT-AWEZNQCLSA-N 456.403 1.706 50 10 JDGE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1B(O)O 2339737323 MBNSGPVCOHQDHV-YWZLYKJASA-N 458.320 1.812 50 10 JDGE COc1cc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc(OC)c1OC 749112952 HSFGLFYJZZCDTA-ZDUSSCGKSA-N 469.541 1.388 50 10 JDGE O=C(NNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1)c1cccnc1 1858002280 YWEWTVBRJJSGFS-UHFFFAOYSA-N 499.593 1.570 50 10 JDGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CNC(=O)c4ccccc4)c(=O)c23)C1 1860772069 QAQCOIHFZTYMCG-UONOGXRCSA-N 467.551 1.721 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(S(=O)(=O)N3CCC(Br)CC3)[C@@H]2C1 2185532742 JHXHHSRIYVBODT-CABCVRRESA-N 468.414 1.801 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)c(F)c1 2247945815 BGGTXZJWOJTABU-UHFFFAOYSA-N 452.313 1.221 50 10 JDGE COC(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1865851886 JGLTZKHDPGIGBK-GFCCVEGCSA-N 454.508 1.831 50 10 JDGE CO[C@@H]1C[C@@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046029911 UMCCTHKZXSZFIB-JCGVRSQUSA-N 477.352 1.825 50 10 JDGE Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1 2255758937 QZUSAWCBMOJMCN-UHFFFAOYSA-N 460.361 1.485 50 10 JDGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4cccnc4)c3[N+](=O)[O-])CC2)cc1 40611236 PWUWVKUUPWPXCC-UHFFFAOYSA-N 450.459 1.872 50 10 JDGE CCOc1cc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1F 169893061 QVTLRQMZJZWJAR-YSURURNPSA-N 456.434 1.137 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 1297230911 BTLSAQIOEPAVRE-CYBMUJFWSA-N 453.904 1.436 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)CI)C1 1884473194 CVKNASLYPBMXGJ-GWNMQOMSSA-N 452.336 1.816 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCO[C@@H](CBr)C1 1942087216 FNINZTUMRNHYAA-AWEZNQCLSA-N 459.362 1.878 50 10 JDGE O=C(Cn1cnc(I)c1I)NNc1ccccn1 2075111878 FBBUYKOXQYDLRI-UHFFFAOYSA-N 469.024 1.631 50 10 JDGE C[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256621930 AMVUEOZMXZNOPU-CRAIPNDOSA-N 461.393 1.630 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B(O)O)c(Cl)c2)CCN1C(=O)OC(C)(C)C 2267347796 WATGCXPOHKUVSO-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCc2scc(B(O)O)c2C1 2361635304 MIGCFOALHXAFEA-SFHVURJKSA-N 488.371 1.339 50 10 JDGE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1ccc(Cl)cc1 20899459 ZLNCQNWAOZFKMK-MRXNPFEDSA-N 472.350 1.988 50 10 JDGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@H]1CCCO1 216935236 ZRJANVDFYQHLOC-IKESIWSLSA-N 454.936 1.475 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3ccc(OC)c(OC)c3)nnn2-c2nonc2N)c1 254853641 GYIQUJLCWZKEMS-UHFFFAOYSA-N 464.442 1.689 50 10 JDGE COC[C@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978676022 HZENTLJTFRYTJU-BZNIZROVSA-N 451.314 1.340 50 10 JDGE CN(CCOCCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543845 OCXMXXGXJKLGOS-KRWDZBQOSA-N 465.341 1.684 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2COC[C@]2(CBr)C1 2213808254 GDCYPQNKNWLDQH-ACJLOTCBSA-N 457.346 1.346 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CC[C@H](CBr)CO1 2246564152 VYBMXYAQNLNYRF-ZIAGYGMSSA-N 459.362 1.782 50 10 JDGE Cc1ccc(/C=C\S(=O)(=O)NCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 97654872 IHESNOPNCCROGI-KHPPLWFESA-N 465.915 1.543 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccc2c(c1)OCO2 254874972 UHZQOXZASCVHRE-UHFFFAOYSA-N 462.426 1.694 50 10 JDGE CN(C)C[C@@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546084 XHFDPCCSUWFBJK-SJCJKPOMSA-N 464.357 1.255 50 10 JDGE CO[C@@H]1C[C@@H](Br)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046666683 BZGDQJURUXIRNU-VFVRVIDISA-N 477.352 1.825 50 10 JDGE Cc1ccc(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2266956226 RJXZKEXSKBPXDC-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B(O)O)cs2)CCN(Cc2ccccc2)CC1 2267083223 XNUBVDPBORYPKS-UHFFFAOYSA-N 473.404 1.717 50 10 JDGE C[C@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1nscc1B(O)O 2268794397 RNPQJWJFDYVRIB-HNNXBMFYSA-N 475.376 1.454 50 10 JDGE Cc1cc(B(O)O)c(F)c(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2281904573 VAARZZBVGSDJTK-UHFFFAOYSA-N 472.322 1.438 50 10 JDGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCC)cc1 9826325 SVYMBVPQDJNCRT-UHFFFAOYSA-N 489.550 1.993 50 10 JDGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(-c2ccccc2)n1 1115895990 AYIMIAQKOOOTKV-FXBPSFAMSA-N 473.537 1.967 50 10 JDGE COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H](Br)[C@@H](OC)N1C(=O)OC(C)(C)C 1531865486 OQEGSELLFXSYFT-UKTARXLSSA-N 465.341 1.522 50 10 JDGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 1562295789 XPKLCQSCQUJZLM-UHFFFAOYSA-N 459.528 1.920 50 10 JDGE O=C(NCc1cc(B(O)O)cc(N2CCNCC2)c1)OCC1c2ccccc2-c2ccccc21 1887522212 KUDRPIZTBJPUTC-UHFFFAOYSA-N 457.339 1.815 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCOC[C@H]1CCBr 1942098942 QMMKNLMZAGPAJD-CQSZACIVSA-N 459.362 1.878 50 10 JDGE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106297711 HKXSWTLXLKYBRF-MCIONIFRSA-N 456.403 1.751 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](CBr)[C@H]1OC 2218190290 PSBLICFQGADFND-BZUAXINKSA-N 475.361 1.112 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CC[C@H](CBr)CO1 2246564150 VYBMXYAQNLNYRF-KGLIPLIRSA-N 459.362 1.782 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1Cc2cccc(B(O)O)c2C1)Cc1ccccc1 2268676841 OFTUJJOLJYQUCW-UHFFFAOYSA-N 453.348 1.236 50 10 JDGE CN(C(=O)OCc1ccccc1)C1CN(S(=O)(=O)c2c(Cl)cc(B(O)O)cc2Cl)C1 2282721597 UDLXQVLDKQEFNK-UHFFFAOYSA-N 473.143 1.315 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 2313860713 KSGXSZLICNOVMF-UHFFFAOYSA-N 460.468 1.970 50 10 JDGE CC(C)OC(=O)C1=c2s/c(=C\c3ccc(O)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(O)cc1 8448549 UXZSHVIFAQOUGJ-FJZBCQJGSA-N 475.526 1.700 50 10 JDGE COCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629930 VTBLMGDSCBKJTF-AWEZNQCLSA-N 480.315 1.877 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Br)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 22053101 GRDUQQNEXMJRRS-AVEIZBFRSA-N 498.282 1.198 50 10 JDGE C=C(C)CCNC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1682685410 GCMSPDAVAJKREA-MRXNPFEDSA-N 454.549 1.249 50 10 JDGE CCOc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cccnc3)CC2)cc1C 1858002044 AQSVXXLOFIUEER-UHFFFAOYSA-N 460.556 1.959 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cccc(B(O)O)c1 2267615358 BHAHQPRMGQNBMB-UHFFFAOYSA-N 466.368 1.116 50 10 JDGE C[C@@]1(NS(=O)(=O)c2c(Cl)cccc2B(O)O)CCN(C(=O)OCc2ccccc2)C1 2282356240 RSCQOGCULSNGBU-LJQANCHMSA-N 452.725 1.099 50 10 JDGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NCc3ccccc3)c(N3CCC(C(N)=O)CC3)nc12 33750051 REBZMDIRLUDKHU-ZHZULCJRSA-N 470.533 1.928 50 10 JDGE COC(=O)Oc1ccc(C=NNC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1OC 254432193 IKALDJIPBLNKGF-UHFFFAOYSA-N 453.448 1.896 50 10 JDGE CC(=O)N1CC(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C1 1628378581 NLHNKWCQWUKBIP-UHFFFAOYSA-N 450.904 1.380 50 10 JDGE COc1ccc(OCCN2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961886 NCXMYAQDNKBVRO-RTBURBONSA-N 481.553 1.699 50 10 JDGE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(B(O)O)c(C)c1I 1887536779 PTFCEHDSKUTLQV-UHFFFAOYSA-N 474.148 1.641 50 10 JDGE CCOC[C@@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540977 HMVBOLUSWARBPF-YVEFUNNKSA-N 465.341 1.730 50 10 JDGE CCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(CBr)oc1Br 2179778846 HECNPRQOEIUVEP-UHFFFAOYSA-N 453.174 1.992 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(B(O)O)cc2F)CCN(Cc2ccccc2)C1 2268630288 IQFIVNQZGFYGGL-QHCPKHFHSA-N 457.311 1.613 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c21 2268655655 OHOFPIQQVHMBMM-UZLBHIALSA-N 454.332 1.754 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@H](c2cccc(OC)c2)C(C#N)=C1N 1053060 XIOYPXNOHRGJJG-HSZRJFAPSA-N 489.553 1.809 50 10 JDGE COc1ccccc1C(=O)NNC(=O)C1CCC(C(=O)NNC(=O)c2ccccc2OC)CC1 100103726 QGMLVOTTZDARBZ-UHFFFAOYSA-N 468.510 1.732 50 10 JDGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 1084071470 UMAFEEPYXIJWKV-HXUWFJFHSA-N 454.483 1.458 50 10 JDGE Cc1ccc(C=NNc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2N)cc1 1084147741 JNAYDVGBGHTCSW-UHFFFAOYSA-N 458.935 1.953 50 10 JDGE C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1 1857791155 CEQVQMNZNBHDOW-BEVDRBHNSA-N 454.483 1.566 50 10 JDGE CO[C@](C)(CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533080 ONJVFMCFGUIMHO-DLBZAZTESA-N 465.341 1.730 50 10 JDGE Cc1ccc(B(O)O)c(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)n1 2255481035 BEZZMTNXEOOORS-UHFFFAOYSA-N 475.310 1.660 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N=c1ccc(Cl)c(B(O)O)[nH]1 2256665916 OVXRFZLMAIYPRQ-OAHLLOKOSA-N 463.727 1.275 50 10 JDGE O=C(NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658187 OXRDGHGQGOKNGT-UHFFFAOYSA-N 456.350 1.946 50 10 JDGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccccn1 40659105 KCAFECSBPAVYAB-UHFFFAOYSA-N 478.469 1.588 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 44699207 GRDUQQNEXMJRRS-YYWYGQEZSA-N 498.282 1.198 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc(OC)c1O 254301491 OTRDUMLJKRLXLV-UHFFFAOYSA-N 494.424 1.115 50 10 JDGE COC[C@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 385131095 UUMJIVRBOYRFRJ-QMMMGPOBSA-N 496.470 1.933 50 10 JDGE CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 1083945473 RZKRDNHMLZDHSN-OAQYLSRUSA-N 468.510 1.848 50 10 JDGE CN1C(=O)c2ccc(N3C[C@H](C(=O)N4CCC[C@H](C(=O)NNc5ccccn5)C4)CC3=O)cc2C1=O 1872962052 OZUZIZRYSDQHBM-JKSUJKDBSA-N 490.520 1.042 50 10 JDGE CN1C[C@H](Br)[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942693111 MDSQGNJEZDQCBW-HOTGVXAUSA-N 458.378 1.450 50 10 JDGE COC1(CBr)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1951052107 IRPKBDLSEKSBTA-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(B(O)O)c(F)cc2Cl)C1 2285954920 NCLGOFYMAWOVBF-UHFFFAOYSA-N 492.740 1.783 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2338848704 ZLXJYVNACQVLTI-CVEARBPZSA-N 462.977 1.167 50 10 JDGE CC(=O)O[C@H](CBr)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](CBr)OC(C)=O 95754299 UKPLTNPGLVFJHC-SYQHCUMBSA-N 476.114 1.503 50 10 JDGE CC(=NNC(=O)CSc1nn(C)c(=O)n(C)c1=O)c1cc2cc(Br)ccc2o1 730570905 NBXQWEAFWRDZID-UHFFFAOYSA-N 466.317 1.620 50 10 JDGE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)c1C 1084229817 AVEYFHYDFHOMEB-UHFFFAOYSA-N 453.532 1.803 50 10 JDGE CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)COc3ccc(Br)cc3)CCC[C@H]2C1 1681771806 XIBYKOPMVCBUSP-XKQJLSEDSA-N 453.337 1.805 50 10 JDGE COC(=O)c1cccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1865851887 JGLTZKHDPGIGBK-LBPRGKRZSA-N 454.508 1.831 50 10 JDGE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)CI)C1 1884478813 AQEJFAFPANLQHU-HXUWFJFHSA-N 452.336 1.673 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCn2c(CCl)nnc2C1 2171791106 DNZTVDOYCYNKEW-GOSISDBHSA-N 455.899 1.187 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)Cc1cccc(Br)c1 2226105880 RQILGYMBSUWKPA-JTQLQIEISA-N 462.103 1.845 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2cccc(B(O)O)c2C1 2268702684 WVGZTIUUENGTJN-NRFANRHFSA-N 454.332 1.361 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2c(B(O)O)cccc21 2283987410 XOLXWHGZNPZNAV-NRFANRHFSA-N 467.375 1.671 50 10 JDGE COC[C@@]1(CBr)C=CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2351733483 YKUWBBRMYMYTEF-MOPGFXCFSA-N 489.363 1.993 50 10 JDGE C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 34262933 KATFIFDXFAXNSF-YVNNLAQVSA-N 477.397 1.690 50 10 JDGE N#C/C(=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 34990365 KODPLLIQCUNSAY-UWXVCKHVSA-N 465.510 1.240 50 10 JDGE CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)c2ccccc21 39919034 FSOQPRKEPCCHNX-SANMLTNESA-N 475.549 1.618 50 10 JDGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 254706098 JGMRFWPCGIVEGA-UHFFFAOYSA-N 450.371 1.456 50 10 JDGE COc1cc(C=NNc2nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1084236434 JPRGOEGFMNNVCW-SECBINFHSA-N 466.480 1.157 50 10 JDGE C#CC1(O)CCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)CC1 1301220163 XHYSSIKCHQRHFK-GHRIWEEISA-N 451.914 1.973 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(C)C 1587356905 DVDNRTAEJIWIAF-LJQANCHMSA-N 452.558 1.861 50 10 JDGE CC[C@H](C)[C@H](CI)NS(=O)(=O)c1c(Br)nnn1C 2081253913 QUPRTRSLEJEXHG-BQBZGAKWSA-N 451.128 1.706 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268648383 YKZSSBBMTNQIPY-YWZLYKJASA-N 458.320 1.812 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2c(cccc2B(O)O)C1 2268717477 XUOHTRPCKIKZOU-OAQYLSRUSA-N 454.332 1.361 50 10 JDGE Cc1csc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1B(O)O 2272030999 DGDPEKJVSQCRRR-UHFFFAOYSA-N 483.396 1.323 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(F)c1B(O)O 2282242780 QZXPOHHPAOOCJL-UHFFFAOYSA-N 483.346 1.434 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(F)c(F)cc2B(O)O)CCN(Cc2ccccc2)C1 2379880683 ZUPRQVAVWUUCKW-QHCPKHFHSA-N 475.301 1.753 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 9229883 FEHUEJISQUOLMH-LFYBBSHMSA-N 472.479 1.886 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 254832938 WHHUCWIDEBKYDY-UHFFFAOYSA-N 476.409 1.511 50 10 JDGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)c3ccncc3)c(OC)c3c(c2OC)OCO3)C1 254853130 DHXPRMSENHDWDI-CQSZACIVSA-N 484.465 1.842 50 10 JDGE CC(=O)N1CCCc2cc(NC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)ccc21 1199545369 QCHCLZWZIQYIKT-UHFFFAOYSA-N 459.528 1.703 50 10 JDGE C#CCOc1ccccc1CNC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1468847242 FJKDJSIRJJVAER-UHFFFAOYSA-N 456.524 1.627 50 10 JDGE C=CCNS(=O)(=O)c1cccc(C(=O)NNc2nc(Br)cn3ccnc23)c1 1648616023 JEYGYCSNQOVTQJ-UHFFFAOYSA-N 451.306 1.713 50 10 JDGE O=C(O)CCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1858959909 XGWQDXBGUASMDP-UHFFFAOYSA-N 451.413 1.553 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](Br)C[C@@]2(CCCO2)C1 1924281071 OTKVLJLTEVLEPY-UGSOOPFHSA-N 457.346 1.631 50 10 JDGE CO[C@@H]1CN(C(=O)c2cc(I)sn2)[C@H](CBr)[C@H]1OC 2225084029 RFDVDXALJBVSEN-NQMVMOMDSA-N 461.119 1.997 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2265133816 GZGNSMSQRPPAOS-RRQGHBQHSA-N 487.372 1.256 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2F)CCN1C(=O)OC(C)(C)C 2266935819 FSOCZURWVLIARI-UHFFFAOYSA-N 467.303 1.351 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1 14645303 BTDXUVNGSZLDLP-UHFFFAOYSA-N 459.524 1.724 50 10 JDGE COC[C@@H](Br)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544843 QERQBZXCRMTTPP-SJCJKPOMSA-N 465.341 1.682 50 10 JDGE CS(=O)(=O)C1CN(S(=O)(=O)c2cc(CBr)sc2Br)C1 2123198368 CGOJZZZYIYXZQU-UHFFFAOYSA-N 453.199 1.823 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@]2(C[C@H](Br)CO2)C1 2137124743 FDBOFVSOBPWYFY-AGRHKRQWSA-N 489.363 1.969 50 10 JDGE C[C@H](CNS(=O)(=O)N1CCC(Br)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238411812 KQLVFDVJBXTLRE-DYVFJYSZSA-N 470.430 1.688 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B(O)O)n2)CCN(Cc2ccccc2)CC1 2268636159 ZVDKTPDVCOQJAG-UHFFFAOYSA-N 454.336 1.259 50 10 JDGE Cc1cc(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc(B(O)O)c1 2268637322 BQCXTMYZHZPPDV-IBGZPJMESA-N 456.304 1.640 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(B(O)O)c1Cl 2282300960 BHYDMLLLZYBBRK-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE C[C@H](C(=O)N1CCC[C@@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873777815 STEZRELTNCRYBJ-UKRRQHHQSA-N 465.466 1.146 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2243426843 MRKNUTYPYYLBGT-UHFFFAOYSA-N 474.797 1.797 50 10 JDGE Cc1csc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2256671347 RMRHGWRCYXFOEW-QGZVFWFLSA-N 462.377 1.853 50 10 JDGE Cc1cc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(B(O)O)s1 2267071492 UHUWVFJZPHUCQM-UHFFFAOYSA-N 485.412 1.664 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c21 2268649470 CURFSRRONKFERN-FQEVSTJZSA-N 453.348 1.281 50 10 JDGE CCOc1cc(OCC)c([N+](=O)[O-])cc1C=NNC(=O)[C@H](C)Sc1nnc(O)nc1O 2323164367 WAZVXLOEQCEHMY-VIFPVBQESA-N 452.449 1.619 50 10 JDGE O=C(N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 15773592 LJPXDQILUNZLFV-CLCOLTQESA-N 450.455 1.844 50 10 JDGE O=C(CCOc1ccccc1)NNC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 728309625 XZJDDKMCWMFZEP-UHFFFAOYSA-N 452.558 1.701 50 10 JDGE COc1c(F)cc(CC(=O)NNC(=O)c2cc(F)ccc2Br)cc1S(N)(=O)=O 728546586 AIOWHYKQBQWGQS-UHFFFAOYSA-N 478.271 1.387 50 10 JDGE CC(=O)N/C(=C\c1cccs1)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1611046252 XSGWNYZGFTVTSB-SSZFMOIBSA-N 451.549 1.861 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)c1 1633773682 PAZYFHXXUNEOCJ-JOCHJYFZSA-N 451.508 1.461 50 10 JDGE C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccccc1)n1cnc2sc3c(c2c1=O)CCCC3 1860771791 IBAHENDOPFLZDV-ZDUSSCGKSA-N 453.524 1.475 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1[C@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 2080886314 IGDJQDQYPHPTHX-SOUVJXGZSA-N 495.664 1.740 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2scc(B(O)O)c2Cl)C1 2266987604 COMXCULBKVQFHM-MRXNPFEDSA-N 493.822 1.933 50 10 JDGE CC(C)(C)OC(=O)NC(CO)(CO)CNS(=O)(=O)c1ccc(CBr)cc1 2270666143 CTHOVLBBTVSVAD-UHFFFAOYSA-N 453.355 1.108 50 10 JDGE COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1I 13629208 DBTTUAKTHBJGJL-GFCCVEGCSA-N 483.262 1.703 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1312819787 FPZJPQYWGBDYPG-OKZBNKHCSA-N 451.568 1.611 50 10 JDGE NCc1cc(B(O)O)cc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 1887551611 VQXFINJTDUJVIC-UHFFFAOYSA-N 457.339 1.896 50 10 JDGE Cc1nc(I)c(I)n1Cc1cnc(C(=O)NN)s1 2028589442 ZONUDSBDZRKBSU-UHFFFAOYSA-N 489.080 1.509 50 10 JDGE O=C1CC[C@@H](N2C(=O)c3cccc(NC(=O)CCCCCBr)c3C2=O)C(=O)N1 2049393578 QBULHVGDSQILSF-CYBMUJFWSA-N 450.289 1.982 50 10 JDGE CC(C)(C)OC(=O)NCCc1nnc(NS(=O)(=O)N2CCC(Br)CC2)o1 2138788142 YEFIFCDRZZILTI-UHFFFAOYSA-N 454.347 1.653 50 10 JDGE O=S1(=O)CC[C@H](C(CBr)(CBr)C[C@@H]2CCS(=O)(=O)N2)C1 2146191174 JAYNMMNDPXISIG-UWVGGRQHSA-N 453.218 1.279 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NS(=O)(=O)N3CCC(Br)CC3)CO2)C1 2201727824 KDMBTDOCAYUZKJ-WMLDXEAASA-N 468.414 1.849 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cscc1B(O)O 2255885110 KLJXWIGRYFVSCV-UHFFFAOYSA-N 472.397 1.178 50 10 JDGE NNC(=O)[C@@]12CC[C@@](Cn3cnc(I)c3I)(C1)OC2 2274717877 RCIXZKVHAFYDCS-QWRGUYRKSA-N 488.067 1.022 50 10 JDGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 2313892725 DBFYCTWIBXOJRJ-CQSZACIVSA-N 457.468 1.272 50 10 JDGE NNC(=O)c1nc(Cn2cnc(I)c2I)cs1 310306155 RGMRILQQAQHOEX-UHFFFAOYSA-N 475.053 1.201 50 10 JDGE COc1cc(CC(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C(=O)O)c([N+](=O)[O-])cc1OC 1088727824 IIOHJLQATICNOJ-USEHDAJUSA-N 459.455 1.771 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)Nc3ccccc3C)cc2)CC1 1556392498 WPYOGSUSWQYUID-UHFFFAOYSA-N 459.528 1.314 50 10 JDGE C[C@@H]1CN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)C[C@@H](C)N1C(=O)OCc1ccccc1 2195882979 GKOXVQCWQVESNR-JOCBIADPSA-N 457.980 1.238 50 10 JDGE CC(C)(C)OC(=O)NCC1(Oc2nccc(B(O)O)c2F)CCN(Cc2ccccc2)CC1 2231660039 YTHXFNOZXOOXHQ-UHFFFAOYSA-N 459.327 1.839 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCc2cc(B(O)O)cs2)C1 2256736216 RXQUMXVAEODBNW-UHFFFAOYSA-N 460.361 1.498 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCc1ccc(B(O)O)cc1F 2269684778 CQAFWYQYCFBYDV-IBGZPJMESA-N 460.311 1.622 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@H](CCl)O[C@H]2C1 2279913476 NGCOWZZICODUCZ-JQFCIGGWSA-N 456.948 1.346 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(B(O)O)c(F)c1 2282364713 QNBWWWMNISWGOF-UHFFFAOYSA-N 484.358 1.255 50 10 JDGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623560 RGROFPWBHVCYPI-QGZVFWFLSA-N 470.551 1.396 50 10 JDGE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)C1 1686694231 JYALFXYJZVCAKO-KSEOMHKRSA-N 456.591 1.176 50 10 JDGE COC1(CBr)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000533078 OMZYBQGOWUTUHW-INIZCTEOSA-N 463.325 1.436 50 10 JDGE C[C@H](CBr)N1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2003504939 UVRCNXRDPFGELH-CQSZACIVSA-N 458.378 1.404 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1B(O)O 2268650600 JXILEXFORBRETE-SFHVURJKSA-N 476.722 1.985 50 10 JDGE Cc1c(B(O)O)csc1C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2281867043 RUSJVOJAZZFUSX-UHFFFAOYSA-N 497.423 1.666 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 2282728074 OJCSXFXACCEECP-MRXNPFEDSA-N 452.363 1.063 50 10 JDGE COCCNC(=O)C(C#N)=Cc1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O 2296846436 MAOIDLFJTWYFCC-UHFFFAOYSA-N 458.522 1.691 50 10 JDGE COC(=O)CCC(=O)NNC(=O)COc1c(C)cc(Br)cc1Br 12483703 TZKWQJUCIDSJKV-UHFFFAOYSA-N 452.099 1.999 50 10 JDGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)o1 13623394 JPQKJNDSFRXIOZ-LBPRGKRZSA-N 465.329 1.726 50 10 JDGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40658424 FMHQEAWVMYHGII-UHFFFAOYSA-N 488.442 1.664 50 10 JDGE CC(CCc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C 254700252 LKYYAQAFPQXFIN-UHFFFAOYSA-N 467.519 1.392 50 10 JDGE CN(C(=O)CN1CCN(C(=O)NNC(=O)c2cccc3cccnc23)CC1)C1CCCCC1 728596233 FTPRRZGNTJTYNY-UHFFFAOYSA-N 452.559 1.998 50 10 JDGE Nc1c(C(=O)NNC(=S)NC(=O)/C=C\c2ccccc2)nnc2cc(-c3ccccc3)nn12 1088715986 ILBAPTQUDJQKEX-QXMHVHEDSA-N 458.507 1.722 50 10 JDGE CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1C(C)C 1465790004 DIGKYGGRYJWZCD-UHFFFAOYSA-N 453.543 1.868 50 10 JDGE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C 1540260153 MIVMYHWWRIWPTL-CYBMUJFWSA-N 454.955 1.681 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2ccccc2S(=O)(=O)N(C)C)s1 1625667742 BCDMEXMHLMYVBR-UHFFFAOYSA-N 458.587 1.149 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@](C)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2106303303 STOBBXWUKFPKTR-MRXNPFEDSA-N 456.403 1.706 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2268643782 LPQOJBOUNQAVJF-SFHVURJKSA-N 476.360 1.413 50 10 JDGE O=C(CNC(=O)c1ccccn1)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 27519897 UBFQTNMPWHWKMX-XAYXJRQQSA-N 457.446 1.607 50 10 JDGE Cc1nc(N)c(C#N)c(SCC(=O)NNC(=O)CSc2nc3ccccc3o2)c1C#N 59449011 MGICPBQULYCMAK-UHFFFAOYSA-N 453.509 1.889 50 10 JDGE CCOc1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)ccc1O 59820492 ZVQJRLWMXQYYKI-SRZZPIQSSA-N 455.500 1.908 50 10 JDGE Cn1nnc(Br)c1S(=O)(=O)NC(C)(CBr)CBr 236087382 SXQRHNJROHUQTM-UHFFFAOYSA-N 454.970 1.404 50 10 JDGE C=CCOc1c(Br)cc(Br)cc1C=NNC(=O)Cn1nnnc1N 254736137 FOOLWFMBQYPJSP-UHFFFAOYSA-N 459.102 1.495 50 10 JDGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)CNC(=O)c2cccs2)CC1 727312102 CXPJFGPKOPLCST-UHFFFAOYSA-N 457.556 1.589 50 10 JDGE COc1cccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1O 1084348311 ACOXCFKURMJELT-UHFFFAOYSA-N 459.463 1.657 50 10 JDGE CC(C)(C)OC(=O)N1CC(CCO)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2119201151 KMEUZAWYHZQKEY-UHFFFAOYSA-N 456.403 1.300 50 10 JDGE CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(CBr)oc1Br 2179776535 VQSHXSUGOZWAGA-SSDOTTSWSA-N 451.158 1.745 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@@]2(CN(Cc3ccccc3)CCO2)C1 2179868464 KXMSMNXFZGINCI-GOSISDBHSA-N 455.378 1.970 50 10 JDGE CN(Cc1cccc(B(O)O)c1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268716019 CAGRDMOZTNNDEJ-OAQYLSRUSA-N 456.348 1.825 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCc2cccc(B(O)O)c2)C1 2268793219 JGQIZMPDCJLKRY-UHFFFAOYSA-N 454.332 1.437 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2cccc(B(O)O)c2F)C1 2268793624 LHPGFKGZGDVAKB-UHFFFAOYSA-N 458.295 1.898 50 10 JDGE CCn1nc(C(=O)NNC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc2c1=O 743362490 DOEBAAYUADPPFI-UHFFFAOYSA-N 493.568 1.191 50 10 JDGE C=C(CC)C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 1135284031 YYOXGRRDLZQXDV-UHFFFAOYSA-N 456.568 1.920 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)C(F)(F)Oc2ccccc2)c1 1544548316 SISKFZNOFIBMEM-UHFFFAOYSA-N 455.439 1.377 50 10 JDGE Cn1ncc(Br)c1S(=O)(=O)N1C[C@H](Br)[C@@H](Br)C1 2019466376 MACIRYHMKFEGHW-BQBZGAKWSA-N 451.966 1.714 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2029427433 YFHJWTUYJXOUPG-DLBZAZTESA-N 472.405 1.792 50 10 JDGE COc1ccc(B(O)O)cc1C(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2247752376 ODWLDIDBJKZKBC-UHFFFAOYSA-N 460.295 1.644 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cccc(F)c2B(O)O)C1 2282240920 BUVWWASGTPUFBR-SFHVURJKSA-N 471.338 1.357 50 10 JDGE O=C(NC1(C(=O)Nc2ncc(B(O)O)cc2F)CC1)OCC1c2ccccc2-c2ccccc21 2302681742 XDOOUAVHZXCXIS-UHFFFAOYSA-N 461.258 1.910 50 10 JDGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011501 VXRVFYZVRNVSNU-UHFFFAOYSA-N 474.495 1.562 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 17518301 YJRKJMVFTMRBKA-UHFFFAOYSA-N 462.572 1.638 50 10 JDGE CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc(Cl)c1OC(C)C 169890801 HIKVERNJYGZRLC-AUXCUJNGSA-N 455.924 1.928 50 10 JDGE NNC(=O)c1ccc(Cn2cnc(I)c2I)o1 310301698 OQNZKJHLMJUCEV-UHFFFAOYSA-N 457.997 1.337 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)[C@H]2Cc3ccccc3O2)cc1 748279403 IPLHOOZNHUJJGD-TZIWHRDSSA-N 471.535 1.584 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1 1080323681 IIKMQABIZDZUNE-GOSISDBHSA-N 478.555 1.471 50 10 JDGE COC[C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675578 DYNCOUXVDRYVQC-MEDUHNTESA-N 451.314 1.340 50 10 JDGE C[C@@H](Br)CN1CCCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 2007834121 PTLVPMMAZJAGGL-CQSZACIVSA-N 458.378 1.404 50 10 JDGE OB(O)c1cc(I)cc(I)c1Br 2059979569 LLARCKHGGONCPY-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCCc2c(B(O)O)cccc21)Cc1ccccc1 2283915870 KFZJQFHLBMNUGY-UHFFFAOYSA-N 467.375 1.673 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOC)cc1 14660753 IUWWLZQWROBRBN-UHFFFAOYSA-N 475.523 1.603 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N)C1CCCCC1 254572462 GCOBBDKMHJSOKC-UHFFFAOYSA-N 468.478 1.669 50 10 JDGE C=C1CC(C)(C(=O)NNC(=O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)C1 1472478101 AXHOOAKIAXDZRR-MRXNPFEDSA-N 451.545 1.456 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)cc2)cc1 1627447200 AYHPVQYNQQHUQJ-FOIQADDNSA-N 459.524 1.554 50 10 JDGE CC(C)(C)OC(=O)N1CC2(CCOCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2167623030 XGTLANUVJKJFMV-UHFFFAOYSA-N 468.414 1.802 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2cccc(B(O)O)c21 2268609651 MSWJFLDHJQOMDY-IBGZPJMESA-N 454.332 1.756 50 10 JDGE CCc1cc(B(O)O)ccc1NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268680744 NKWWPVWAXIEJMM-UHFFFAOYSA-N 455.364 1.894 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296731287 LHOKHXFDQNQIHG-SCTDSRPQSA-N 451.527 1.819 50 10 JDGE COCCNC(=O)C(C#N)=Cc1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O 2296731321 NPARPQSCMPMKCO-UHFFFAOYSA-N 472.549 1.999 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1COC[C@@H]1Br 2301117029 LJOPIYMSQXLYIO-JKSUJKDBSA-N 459.362 1.925 50 10 JDGE CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl 12501359 QWINWVZBJDNSQX-BQYQJAHWSA-N 461.327 1.853 50 10 JDGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623616 FDGORJGSASJPSN-KRWDZBQOSA-N 454.508 1.157 50 10 JDGE O=C(CSc1n[nH]c(N/N=C/c2cc(Br)ccc2O)n1)NNC(=O)C(F)(F)F 20834620 KGUCNILQAOGZPM-JJPRUIFNSA-N 482.242 1.521 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc4c(c3)OCO4)nnn2-c2nonc2N)c1 254722345 RUMGKKAEJHYLBB-UHFFFAOYSA-N 462.426 1.791 50 10 JDGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)ccc1O 254825615 LCTOHCSLOJYRPW-UHFFFAOYSA-N 464.442 1.776 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)c1 1644012107 WCDAURRVFCHJQM-UHFFFAOYSA-N 451.533 1.917 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B(O)O)cc1 2140557938 OTEHOYUFKQQPMU-LAUBAEHRSA-N 456.348 1.524 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(B(O)O)c1Cl 2255505776 MVXASQUTTZZLKQ-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE COc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)ccc1B(O)O 2289465647 DAVRDBPUVYJCHB-HRAATJIYSA-N 472.347 1.490 50 10 JDGE CC(=NNC(=O)Cn1c(=NCc2ccccc2)[nH]c2c1c(=O)n(C)c(=O)n2C)c1ccccc1 2328610798 HVDPFRSXERNRPF-UHFFFAOYSA-N 459.510 1.008 50 10 JDGE C=C(CC(C)C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 1540696143 XLIQBTCTIPHOJQ-UHFFFAOYSA-N 452.515 1.178 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H](CO)C1 2116268299 JBOXXEVNTJFCNW-JSGCOSHPSA-N 456.403 1.298 50 10 JDGE Cc1csc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1B(O)O 2256640449 SPMKVFPVBHQAPP-UHFFFAOYSA-N 461.393 1.379 50 10 JDGE Cc1c(B(O)O)csc1C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2267418263 HWPPYDJVVZVCSX-UHFFFAOYSA-N 485.412 1.664 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2CCOCCI 2326642442 SJWKKUADBSSDJR-KRWDZBQOSA-N 467.348 1.640 50 10 JDGE Cc1ccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(F)c1B(O)O 2381159137 HAOGYAMGPHMRAS-XMMPIXPASA-N 471.338 1.922 50 10 JDGE N#C/C(=C/c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NCc1ccco1 34990374 GYOWEUYAHUVADQ-VKAVYKQESA-N 461.478 1.854 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])c1-c1ccc([N+](=O)[O-])cc1 254763375 LHCZSNMYCTUERG-UHFFFAOYSA-N 464.358 1.480 50 10 JDGE NNC(=O)c1ccccc1Cn1cnc(I)c1I 394144131 ZFDLOCNXNFMTRJ-UHFFFAOYSA-N 468.036 1.744 50 10 JDGE NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)NNC(=O)CCOc3ccccc3)c2)C1 731047438 OMSXVWKDNLZIIJ-HXUWFJFHSA-N 453.543 1.683 50 10 JDGE CC(C)C=C(C#N)C(=O)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1 2297698252 KBDQXMKBRIBRMO-YTFSRNRJSA-N 491.560 1.096 50 10 JDGE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1B(O)O 2339737321 MBNSGPVCOHQDHV-MGPUTAFESA-N 458.320 1.812 50 10 JDGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccc(N(C)C)cc2)nnn1-c1nonc1N 254499066 KFUMUOVMGVPPNV-UHFFFAOYSA-N 454.539 1.684 50 10 JDGE Cc1ccc(C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866638586 KQALDTMEQJXFHP-QGZVFWFLSA-N 462.553 1.548 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1cc(F)c(F)cc1B(O)O 2326792814 PYXLYFPWIYGHPT-SFHVURJKSA-N 450.247 1.693 50 10 JDGE O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1ccc(S(=O)(=O)NC2CC2)cc1 32605261 XRDLHPCBYDVURL-UHFFFAOYSA-N 460.899 1.697 50 10 JDGE COC(=O)[C@@H](I)CNC(=O)c1cccc(I)c1 234594219 SSZAGJBZOAPTLC-VIFPVBQESA-N 459.021 1.998 50 10 JDGE COc1ccc(C(C)=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 254484727 YXCAHQIYNKICGK-UHFFFAOYSA-N 474.583 1.859 50 10 JDGE CC(=O)N1CCC[C@H]1C(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 750600552 FDQLXTGMZTYXHX-DEOSSOPVSA-N 477.609 1.942 50 10 JDGE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961559 LWRYNOIPSMEDRM-DLBZAZTESA-N 467.526 1.834 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 1873777657 NXLWDYSYLJWFTL-CYBMUJFWSA-N 486.326 1.822 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)CI 1880147611 IIQUCIWYBVGJEJ-UHFFFAOYSA-N 493.364 1.716 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2163055988 NCHNVLFDHNFEKW-CABCVRRESA-N 468.414 1.801 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2182444799 IWMHLAPIVUYIMZ-INIZCTEOSA-N 474.393 1.656 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1ccc(Cl)c(B(O)O)c1 2255501744 DFILOCPLLYHLOM-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE C[C@@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256599268 VMOZXDPXDUTKCN-ZBFHGGJFSA-N 463.365 1.500 50 10 JDGE CC(C)(C)OC(=O)N1CCC(N(CCOCCI)CC(N)=O)CC1 2306805214 QFSIBBVQWNVWSK-UHFFFAOYSA-N 455.337 1.625 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1 14657343 PNBKDUBAPBHSDP-UHFFFAOYSA-N 475.523 1.603 50 10 JDGE C=CC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccncc1 1222022143 XRYUIIIOHRCYEH-LJQANCHMSA-N 459.528 1.364 50 10 JDGE CN(C)C[C@@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546086 XHFDPCCSUWFBJK-YVEFUNNKSA-N 464.357 1.255 50 10 JDGE NNC(=O)[C@H]1CC[C@@H](Cn2cnc(I)c2I)C1 2010833121 OUIGTUQRIJRQPY-RQJHMYQMSA-N 460.057 1.499 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCOCC1 2046030386 XWBQZLCCAZBKGK-QGZVFWFLSA-N 477.352 1.874 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@H]21 2368873489 OCUWSXBITRQMHF-RBSFLKMASA-N 468.414 1.847 50 10 JDGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 102846309 BSFQJKYETXNHQK-QKXCFHHRSA-N 468.466 1.836 50 10 JDGE Cn1cnnc1SCc1c(C(=O)NN=Cc2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N 254874271 INHQOTHKERSGHA-UHFFFAOYSA-N 493.435 1.436 50 10 JDGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2ccncc2)cc1 1084579865 MIVJBUQLBIAHHM-UHFFFAOYSA-N 461.478 1.874 50 10 JDGE CC(=O)N(CC(=O)NNC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 1445562632 MJTGMKGSHOSYKB-UHFFFAOYSA-N 457.962 1.658 50 10 JDGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)CC1 1477708173 DDAXFDVOIMTMKY-UHFFFAOYSA-N 454.487 1.620 50 10 JDGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CB(O)O)C(=O)O 1984692329 MRWQZXYTDRBIBK-UXHICEINSA-N 454.288 1.592 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1C[C@H](Br)CCO1 2046028627 JVZXSROHGOFNJM-VBHSOAQHSA-N 477.352 1.873 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)NCCc1cccc(B(O)O)c1)Cc1ccccc1 2140556291 LBINWWLUYQEJJW-UHFFFAOYSA-N 455.364 1.052 50 10 JDGE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(B(O)O)c1 2268652178 DTVQOLISNJMRCN-MGPUTAFESA-N 458.320 1.812 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2c(B(O)O)cccc21)Cc1ccccc1 2268676531 LLHYJMAQRYYZAR-UHFFFAOYSA-N 453.348 1.282 50 10 JDGE CCCn1cc(B(O)O)cc1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2281700425 BLPOWDDTZGNRBO-UHFFFAOYSA-N 461.371 1.779 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2318651858 MAZCRFQMEONODX-KRWDZBQOSA-N 450.247 1.693 50 10 JDGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(F)c(B(O)O)cc1O 2364891582 GJLQOJILQBZGFY-UHFFFAOYSA-N 464.302 1.412 50 10 JDGE COc1cc(/C=N/NC(=O)CCCSc2nnc(-c3cccnc3)n2N)c([N+](=O)[O-])cc1O 58992142 JACMNJALYDKNFV-SSDVNMTOSA-N 472.487 1.699 50 10 JDGE CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1865852459 XSXHLMLADQJXTN-UHFFFAOYSA-N 463.560 1.789 50 10 JDGE CO[C@@](C)(CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533083 ONJVFMCFGUIMHO-SJORKVTESA-N 465.341 1.730 50 10 JDGE CO[C@@H]1C[C@@H](Br)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046666681 BZGDQJURUXIRNU-SNUQEOBHSA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(F)c2B(O)O)CCN1C(=O)OC(C)(C)C 2267304560 PZPKRHFZLBOKQA-UHFFFAOYSA-N 467.303 1.351 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@H](CCl)O[C@H]2C1 2279903931 NNRDCWQQFIBLJX-DLLGKBFGSA-N 460.911 1.048 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1 40658113 VBFKKYKYJZWKBB-UHFFFAOYSA-N 468.386 1.815 50 10 JDGE CC(C)Cn1ncc2cc(C(=O)OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cnc21 728340213 JAUDGEXLPDHYRY-SFHVURJKSA-N 453.455 1.232 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCOC[C@H]1CBr 1942088147 KCXIGBWFHRWZFH-CQSZACIVSA-N 459.362 1.878 50 10 JDGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 1942094733 IQPQQIMQDDDGBT-UONOGXRCSA-N 459.362 1.877 50 10 JDGE CO[C@@]1(CBr)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024192 YNMLFTKHMHYJCU-ZWKOTPCHSA-N 477.352 1.826 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H](CBr)[C@H]1OC 2225079565 CQLSFQBQSMJRTH-GVDBMIGSSA-N 489.388 1.502 50 10 JDGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CB(O)O)C(=O)O 2248871385 HQYAWIQAOXHIIY-RTWAWAEBSA-N 468.315 1.982 50 10 JDGE Cc1sc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(C)c1B(O)O 2267031634 DWXZIJPZOPBDPD-UHFFFAOYSA-N 474.388 1.669 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(B(O)O)c(F)c2)CCN(Cc2ccccc2)C1 2268719122 YQXPCQGOKUKDFV-QHCPKHFHSA-N 457.311 1.613 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@@H](CCl)O[C@@H]2C1 2279903933 NNRDCWQQFIBLJX-XIEZEKGWSA-N 460.911 1.048 50 10 JDGE COc1cc(/C=N/Nc2nc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc(OC)c1OC 59883764 PDJQBWGNGFOYCU-JYQBEENSSA-N 477.547 1.705 50 10 JDGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CC1(CBr)CCOCC1 2183500023 OECSBXYKNADRAW-UHFFFAOYSA-N 467.426 1.898 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(Cl)c(B(O)O)c2)C1 2267619095 NDVIOUVJAIUTGY-UHFFFAOYSA-N 496.778 1.762 50 10 JDGE NC(=O)C1CCN(c2ccc(NC(=O)CCCl)cc2S(=O)(=O)NCCc2ccccn2)CC1 34919835 PBOXUHFKVYEJJI-UHFFFAOYSA-N 494.017 1.872 50 10 JDGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 40658043 HRLFMKHLNCHUBO-UHFFFAOYSA-N 468.386 1.572 50 10 JDGE COC[C@H](Br)CCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539427 ALJQXJVOYBMYDB-PXAZEXFGSA-N 465.341 1.730 50 10 JDGE Cc1nc(I)c(I)n1Cc1cnsc1C(=O)NN 2053126723 RQQYDRMQXHADLT-UHFFFAOYSA-N 489.080 1.509 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2256677498 XOYQZCKHCGWNFX-QGZVFWFLSA-N 462.377 1.853 50 10 JDGE CP(C)(=O)[C@@H]1C[C@H](N=C=O)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2370156680 PDKAVHKCWUQOIP-LSDHHAIUSA-N 453.457 1.404 50 10 JDGE CC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 254379443 ZMRRKGIULUEZTM-UHFFFAOYSA-N 468.535 1.876 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccncc1)C=2C(=O)Nc1ccc(C)c(C)c1 1080323662 CHGOOLRPWCXHFD-HXUWFJFHSA-N 487.541 1.113 50 10 JDGE N#C/C(=C/c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2201411 VCCPJYKYKXGGMX-VZVUQDNOSA-N 455.540 1.285 50 10 JDGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c(OC)c1 725414740 WNFYFQIKFHMKGY-LJQANCHMSA-N 484.509 1.467 50 10 JDGE CC(=O)[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)CBr)CC2)=NN1c1ccccc1 1546250185 XXQILAJXSMSNLV-INIZCTEOSA-N 457.350 1.037 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=S)NCC2CCC2)cc1 1640367577 GVLDJFIXZFRDBW-SFHVURJKSA-N 452.602 1.728 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2013004608 GGNCXZVNRXSNPO-DAXOMENPSA-N 457.346 1.629 50 10 JDGE NNC(=O)C1(Cn2cnc(I)c2I)CCCC1 2216861903 ADJUWVFBQNCVQH-UHFFFAOYSA-N 460.057 1.643 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 2240878444 USLBHJJAGVFDGF-SCZZXKLOSA-N 451.133 1.427 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1F 2255754960 IKHIHIJHGIKROA-UHFFFAOYSA-N 466.340 1.611 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1cc(B(O)O)cs1 2256616547 BVOSLJIUUOFVRG-KRWDZBQOSA-N 462.333 1.071 50 10 JDGE COc1ccc(CNC(=O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2264097257 DIGYSWQLHVQMHP-UHFFFAOYSA-N 474.322 1.920 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B(O)O)ccc1F 2268653372 LZZRSXNDMVSGBZ-MGPUTAFESA-N 460.311 1.620 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 1942903645 HXBABMOGFBBMKJ-MAZHCROVSA-N 457.346 1.629 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1csc(B(O)O)c1 2255714068 LRBNLMISZBIPMY-UHFFFAOYSA-N 471.385 1.356 50 10 JDGE CCOc1cc(C=NNC(=O)CNc2nnc(O)nc2O)ccc1OCc1ccccc1F 2323200429 QVTLRQMZJZWJAR-UHFFFAOYSA-N 456.434 1.962 50 10 JDGE O=S(=O)(CCBr)CCNS(=O)(=O)Cc1ncsc1Br 2335756063 APCSHOYHQXTDSF-UHFFFAOYSA-N 456.203 1.135 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B(O)O)c2C1 2336500471 AKARXTWINVOCKO-MGPUTAFESA-N 474.388 1.811 50 10 JDGE COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)/C(C#N)=C(\C)N)cc(OC)c1OC 9492888 KUKYCTYGUDPNEP-ZQHYZAEZSA-N 465.528 1.432 50 10 JDGE COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1 48573059 GOVNVWJQHXMPBG-UFFVCSGVSA-N 465.247 1.958 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)c1 1471691099 OKWIWOSAIPQHNU-UHFFFAOYSA-N 458.521 1.090 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccc(B(O)O)s2)CCN(Cc2ccccc2)C1 2256677945 JAQQUDYLLUJUTA-QFIPXVFZSA-N 459.377 1.214 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1B(O)O 2266933772 GJPYROGGJCXOKM-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2ccc(B(O)O)cc2C1 2268711936 PIKVOSBDGXUNJI-NRFANRHFSA-N 454.332 1.361 50 10 JDGE CCCn1cc(B(O)O)cc1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2281685609 JEFHQHMQBGTLFI-UHFFFAOYSA-N 471.363 1.202 50 10 JDGE COc1ccc(C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1S(=O)(=O)N(C)Cc1ccccc1 9630376 WRRZSAFSYSBXNU-OBGWFSINSA-N 457.508 1.998 50 10 JDGE CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 12501320 FFLKWLYUTMSZPF-VOTSOKGWSA-N 477.280 1.055 50 10 JDGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(O)cc2)cc1I 12502944 RTFHLRWRCPONTC-UHFFFAOYSA-N 471.276 1.955 50 10 JDGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccc(OC)cc2OC)nnn1-c1nonc1N 254461829 AJDKNBGAFGXNIB-UHFFFAOYSA-N 471.522 1.636 50 10 JDGE COC(=O)c1cc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)c(C(=O)OC)s1 726519416 HQBNCHPGDOVLDP-UHFFFAOYSA-N 451.482 1.436 50 10 JDGE Cc1oc(C(=O)NN)cc1Cn1c(C)nc(I)c1I 2088987529 KTIQFSMWGQLTTF-UHFFFAOYSA-N 486.051 1.954 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC[C@@H]1CO 2122367194 FCWHFUPMRRUWQQ-OCCSQVGLSA-N 456.403 1.298 50 10 JDGE COc1ccccc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1 100099265 XJTYRRNENRSIQT-UHFFFAOYSA-N 462.462 1.853 50 10 JDGE C[C@@H]1[C@H](OC(=O)CCC(=O)NN2CCOCC2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254499773 FBQSKFBDDWKIAP-KPLREVQLSA-N 468.547 1.881 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)CC2)c1 748285931 WJRUFHLXQQMTGM-NRFANRHFSA-N 471.535 1.441 50 10 JDGE COc1cc(C=NNc2nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]2)cc(OC)c1OC 1084250945 DMBZBLUCVRUQOU-UHFFFAOYSA-N 477.425 1.078 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3ccccc3O)CC2)c1 1301571528 PGZPTUOANQNAKL-UHFFFAOYSA-N 459.524 1.386 50 10 JDGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)(c2ccccc2)CC1 1618234815 OORGPARHJWTWCV-UHFFFAOYSA-N 459.506 1.441 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](OCCBr)C1 2046752013 OMYOEVRZYWYZOY-ACJLOTCBSA-N 477.352 1.826 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 2179867807 AVMNYVSPBXEHJA-IAGOWNOFSA-N 455.378 1.969 50 10 JDGE CCc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c(B(O)O)s1 2266890503 YFCQCNMOXMTRSW-UHFFFAOYSA-N 484.384 1.230 50 10 JDGE O=C(OCc1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2ccc(B(O)O)cc2Cl)C1 2282361557 SKNDWPWZUYXLIL-MRXNPFEDSA-N 452.725 1.099 50 10 JDGE COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc1 3375051 ALCOLPPPSHOONR-LJQANCHMSA-N 472.523 1.046 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)COc3ccccc3Br)[C@H]2C1 1478773074 ZKNGFVFZMDJIRK-OFQRWUPVSA-N 453.337 1.805 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H](Br)CBr 1954120090 VMGIFDWPQSMJKW-SNVBAGLBSA-N 468.167 1.751 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(F)cc1I 2121336643 IAPWTAIXYDKENW-SCZZXKLOSA-N 462.078 1.721 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CCN(S(=O)(=O)CI)CC2)C1 2213737906 LAGZBKRHYXJLGO-CHWSQXEVSA-N 473.377 1.772 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1ccccc1B(O)O 2268650144 HJKMCEHFGCTSNG-IBGZPJMESA-N 456.304 1.009 50 10 JDGE COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1B(O)O 2296193472 YSESGANGZFYRIL-KKSFZXQISA-N 472.347 1.490 50 10 JDGE CCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1 12570561 XBNSZCNUGMXZON-UHFFFAOYSA-N 479.296 1.279 50 10 JDGE COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccc(OCC(N)=O)cc2)c2ccccc2)cc1 252643793 ZWTHIASBVKVAQG-UHFFFAOYSA-N 496.545 1.905 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NNC(=O)C1CCC1 1084018918 SCIBERSCLUGQEK-UHFFFAOYSA-N 463.436 1.107 50 10 JDGE CCOC[C@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540974 HMVBOLUSWARBPF-PXAZEXFGSA-N 465.341 1.730 50 10 JDGE Cc1ccc(S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c(B(O)O)c1 2255758049 FCYICIMPIJEQPT-UHFFFAOYSA-N 462.377 1.781 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B(O)O)s2)CCN(Cc2ccccc2)CC1 2266874420 JRTUCOJEFLVWMM-UHFFFAOYSA-N 473.404 1.717 50 10 JDGE O=C(NC[C@H](NS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C(F)(F)F)OCc1ccccc1 2282367673 FMCSRBCUXKUGAP-NSHDSACASA-N 486.686 1.217 50 10 JDGE COC(=O)[C@@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2303516725 RDCZQDRPFOXTJH-CYBMUJFWSA-N 461.334 1.165 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2scc(B(O)O)c2C1 2336493914 DVFTZGDAYRFFEE-KRWDZBQOSA-N 474.388 1.813 50 10 JDGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2cc(OC)ccc2OC)nnn1-c1nonc1N 20037892 SNFYBJHXRDABCZ-FSJBWODESA-N 471.522 1.636 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 616585149 GRDUQQNEXMJRRS-OBVSXPTNSA-N 498.282 1.198 50 10 JDGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 725414746 XEBDXEPJLXWWOG-NRFANRHFSA-N 496.520 1.626 50 10 JDGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1cccc([N+](=O)[O-])c1)CCC2 1772746113 PPYOJKCPIRBVAI-UHFFFAOYSA-N 454.487 1.859 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](OCCBr)C1 2001030279 ZYPFQHTTWZMAJN-CQSZACIVSA-N 459.362 1.878 50 10 JDGE C=C[C@H](O)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1290034366 CVIRPGJBRVULCR-HNNXBMFYSA-N 454.302 1.558 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2F)CCN1C(=O)OC(C)(C)C 2266937486 OIXCQXLVOUBGLN-UHFFFAOYSA-N 467.303 1.351 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc21 2268654738 CXXKTFBXFJQRSE-IERDGZPVSA-N 454.332 1.754 50 10 JDGE Cc1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)cc1B(O)O 2281728037 ZPWJFYGXLOIFGQ-NRFANRHFSA-N 467.375 1.526 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ncc(B(O)O)cc2F)C1 2283985236 GSUPDEUTKQMLMM-QHCPKHFHSA-N 473.310 1.683 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCc2ccccc2B(O)O)C1 2284015928 UJXCOBDLWXEBNK-VWLOTQADSA-N 468.359 1.827 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N(CCBr)C1CCOCC1 2307932702 NAGMICPJLMDTLS-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)=C\c1ccccc1 254618086 ZLRZRQDBOXTJAU-HFNIXIFSSA-N 465.503 1.472 50 10 JDGE COc1cc(Cl)ccc1C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 798164844 UVZSXPZRHROPQA-UHFFFAOYSA-N 473.960 1.756 50 10 JDGE O=C(NNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(Br)cc1 1326229375 FOTDGYUVBVRFRW-UHFFFAOYSA-N 458.246 1.752 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCN1CCC(Br)CC1 2029233600 VFFOAFJPAHADAY-UHFFFAOYSA-N 472.405 1.842 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106306152 WBHRFEMNEVUZHQ-DGAVXFQQSA-N 454.387 1.361 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCc2ccc(B(O)O)cc2)CCN(Cc2ccccc2)C1 2205503246 QUWGTGOFNHJVCE-VWLOTQADSA-N 467.375 1.195 50 10 JDGE Cc1cc(CN(C)C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2268647311 YLEZZCWJJXJGJI-LJQANCHMSA-N 475.420 1.720 50 10 JDGE COc1ccccc1CC(C)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C 254824270 LORFGYJVJRYBJL-UHFFFAOYSA-N 483.518 1.010 50 10 JDGE CCCNC(=O)CN1C(=O)C(=NNC(=O)CSCC(=O)Nc2ccccc2)c2ccccc21 1084118403 VNCPPAUWELQQLG-UHFFFAOYSA-N 467.551 1.752 50 10 JDGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)ccc1F 1303854353 YMTMPUKWPMUZPS-CQSZACIVSA-N 456.496 1.060 50 10 JDGE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1463542330 VWPVAFTWSMXINN-CQSZACIVSA-N 453.565 1.990 50 10 JDGE C#CCN(CC(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1)C(=O)OC(C)(C)C 1622155157 DPUISCJAWQXHCN-UHFFFAOYSA-N 457.575 1.130 50 10 JDGE COC[C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675579 DYNCOUXVDRYVQC-ZBEGNZNMSA-N 451.314 1.340 50 10 JDGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CB(O)O)C(=O)O 1984692328 MRWQZXYTDRBIBK-PMACEKPBSA-N 454.288 1.592 50 10 JDGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccc(B(O)O)cc1 2025203627 IZDIOAOZMQLVJP-KRWDZBQOSA-N 458.323 1.952 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(I)ccc1F 2121333272 KTCDLAHVLDMDAC-WCBMZHEXSA-N 462.078 1.721 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](Nc2ncc(Br)cc2B(O)O)C(F)(F)CC1 2240333752 NLXGLFODMGBMCB-LBPRGKRZSA-N 450.089 1.971 50 10 JDGE O=C(COc1ccccc1)NNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 40658426 AKNHQUKEGQWVPV-UHFFFAOYSA-N 468.386 1.572 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccnc2)c1CN1CCC(Cc2ccccc2)CC1 254870752 AQAROXPWDHKUKL-UHFFFAOYSA-N 486.540 1.846 50 10 JDGE C=CC(=O)N1CCC(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)(c2ccccc2)CC1 1540745209 DHOUROJUUQGBQX-UHFFFAOYSA-N 455.536 1.598 50 10 JDGE COC(=O)c1ccccc1N1C[C@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777306 FANCUXLWDIHERT-IAGOWNOFSA-N 465.510 1.603 50 10 JDGE OB(O)c1ccc(I)c(I)c1Br 2059979585 MLICNKSMDDRDPR-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(B(O)O)c(F)c1F 2256670365 CKHPMFLOWNWZAD-INIZCTEOSA-N 450.247 1.693 50 10 JDGE COc1ccc(B(O)O)cc1S(=O)(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2282367001 WLKZRSJVDWZJCI-UHFFFAOYSA-N 492.359 1.117 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCc3cccc(B(O)O)c32)CCN(Cc2ccccc2)C1 2284059763 VRMIWHJNZCSVMC-VWLOTQADSA-N 465.359 1.425 50 10 JDGE CCCOc1c(OC)cc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc1[N+](=O)[O-] 2323157644 CRRBZWHQUNEMMY-VIFPVBQESA-N 452.449 1.619 50 10 JDGE CC(=O)NNC(=O)CSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 226829870 IAJGVJXXNPILOY-IBGZPJMESA-N 457.508 1.879 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc2ccccc2c1 254294957 UWDDJMNHALDTJQ-UHFFFAOYSA-N 489.525 1.961 50 10 JDGE CC(=NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729819393 IZZRVWPXFPJBDC-SFHVURJKSA-N 451.526 1.256 50 10 JDGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCc3ccncc3)cc2)cc1 1084648243 UDSPBGVYUKXTSE-UHFFFAOYSA-N 461.478 1.874 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3cc(Cl)ccn3)ccc2F)CC1 1597635313 TYDSAEKYMPLZBQ-UHFFFAOYSA-N 455.899 1.484 50 10 JDGE C[C@H](C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O)n1cnc2sc3c(c2c1=O)CCCC3 1860771565 AHUTWNBUXWOFJR-GFCCVEGCSA-N 479.518 1.341 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCc1nnc(CBr)s1 2017512773 WNSWZWBTJXWIEI-UHFFFAOYSA-N 473.374 1.929 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)N2CC(Cl)C2)C1 2242913797 PANHQUAEGUDJAV-SFHVURJKSA-N 459.012 1.865 50 10 JDGE Cc1csc(CN(C)C(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2256671861 YWYREEYFXAOEFE-KRWDZBQOSA-N 462.377 1.805 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCc2ncc(B(O)O)s2)C1 2268665964 AZMDPRNVWDYTTJ-QFIPXVFZSA-N 475.376 1.283 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=CC=Cc2ccccc2)c1CSC1=NCCS1 2296056487 VNHAENMCKQOXQN-UHFFFAOYSA-N 455.529 1.998 50 10 JDGE COc1cc(/C=N/NC(=O)CCNc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccc(C)cc1 169892645 FKCXCEVMBKWBIB-WYMPLXKRSA-N 452.471 1.307 50 10 JDGE NNC(=O)c1ccc(Cn2cnc(I)c2I)cc1 385513321 XIEQXKQORBVVLS-UHFFFAOYSA-N 468.036 1.744 50 10 JDGE C=CCn1cc(C=NNC(=O)CSc2nnc(Cn3nnc4ccccc43)n2CC=C)cn1 1084276331 NWNIVMADRHAMNP-UHFFFAOYSA-N 462.543 1.882 50 10 JDGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)CNC(=O)c1cccs1 1136538406 WLTFHRIZVOHQIC-UHFFFAOYSA-N 454.302 1.669 50 10 JDGE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1227480589 VTRZOYLZXWTMJX-MJGOQNOKSA-N 450.561 1.786 50 10 JDGE C=CC(=O)Nc1ccc(O)c(C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 1566279050 BMQNNKIQDZLTEJ-UHFFFAOYSA-N 451.527 1.404 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNc1ncccc1Br)c1ccc(S(C)(=O)=O)cc1 1649162694 MVSWHBVVSAZDET-KRWDZBQOSA-N 455.334 1.742 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2068779877 BGTVNRXSJSXEMQ-XOIINTDNSA-N 471.373 1.734 50 10 JDGE CC(C)(C)OC(=O)NCCn1cc(NS(=O)(=O)N2CCC(Br)CC2)cn1 2229389595 MKZROCLREMIWAZ-UHFFFAOYSA-N 452.375 1.924 50 10 JDGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268651849 QGARFCMXENDXRD-OXJNMPFZSA-N 475.420 1.973 50 10 JDGE CCCn1c(N)c(C(=O)COC(=O)C(C#N)=Cc2cc(C)n(CC(C)C)c2C)c(=O)n(C)c1=O 2297363948 FGDBEEMWIWBXHE-UHFFFAOYSA-N 469.542 1.947 50 10 JDGE CC(=O)O[C@H]1C=COC=C2C[C@@]34SS[C@]5(CC6=COC=C[C@H](O)[C@H]6N5C3=O)C(=O)N4[C@@H]21 4214877 HXWOWBFXYUFFKS-PSJNWGMYSA-N 462.505 1.138 50 10 JDGE in-man O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NNC(=O)c1ccccc1 11243283 LBPVUHHWUMWLRK-UHFFFAOYSA-N 479.942 1.745 50 10 JDGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630238 BMOIEWIFMPELFD-MRXNPFEDSA-N 458.540 1.999 50 10 JDGE O=C(CSc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c(O)ccc2cc(Br)ccc12 169892006 VSZGKQYZIIDTAT-NGYBGAFCSA-N 450.274 1.322 50 10 JDGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC 217173428 HEZFBCVOJKGOHH-RRGURHCPSA-N 464.588 1.339 50 10 JDGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CSc1nnc(N)s1 1084296084 DGJZYUOEWBEVEU-UHFFFAOYSA-N 458.573 1.693 50 10 JDGE CO[C@@H]1[C@H](OC)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CCl 2233352833 FQMBKPZCZIHKKM-CYJAXWMASA-N 462.927 1.294 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(B(O)O)cc1 2267210408 DCHAZZNPPFHKMR-UHFFFAOYSA-N 466.368 1.116 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)Cc2ccccc2B(O)O)C1 2267712486 WRVYSDXPLRIFEG-UHFFFAOYSA-N 476.360 1.249 50 10 JDGE CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)c2ccccc21 39919035 FSOQPRKEPCCHNX-AREMUKBSSA-N 475.549 1.618 50 10 JDGE O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(I)c1 100449659 HFBLXIZRORDARQ-GFCCVEGCSA-N 453.236 1.694 50 10 JDGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NN3CCOCC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 215667088 FBQSKFBDDWKIAP-RCCCLSFCSA-N 468.547 1.881 50 10 JDGE biogenic CC(=O)N[C@@](C)(C(=O)NNC(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 1138907705 JBNYQYKPYNGEKI-LJQANCHMSA-N 452.920 1.948 50 10 JDGE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962481 UKRXYOOQXFZMKY-MSOLQXFVSA-N 464.526 1.775 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN2C[C@@H](Br)C[C@@H]2C1 2108231334 PGWWFPAQFFFLPC-KSMMKXTCSA-N 488.379 1.494 50 10 JDGE OB(O)c1cnc(Nc2cc(I)cc(I)c2)nc1 2223638687 YJPGJOUBCKEUTR-UHFFFAOYSA-N 466.813 1.109 50 10 JDGE CCc1nc(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c(B(O)O)s1 2255786811 UJVFBNXYDTUJDY-UHFFFAOYSA-N 461.349 1.579 50 10 JDGE Cc1sc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(B(O)O)c1C 2281787872 STOKGMGJIWFIMZ-UHFFFAOYSA-N 499.439 1.973 50 10 JDGE CN(Cc1ccc(B(O)O)cc1)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283963517 OUMSEGNYGXYFDI-FQEVSTJZSA-N 470.331 1.352 50 10 JDGE CNC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O 2296849545 OAVIGZWGZJGEQA-UHFFFAOYSA-N 486.532 1.707 50 10 JDGE COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NNC(=O)CCN2CCOCC2)cc1 2297709507 QZTCGRBGYXNTPN-UHFFFAOYSA-N 452.511 1.336 50 10 JDGE CC(C)(C)OC(=O)NC[C@@]1(C)CN(c2ncc(Br)cc2B(O)O)CC1(F)F 2379731494 GEENEFVCZIUJOL-HNNXBMFYSA-N 450.089 1.510 50 10 JDGE COc1ccc(C=NNC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1Cn1cnc([N+](=O)[O-])n1 254309786 ZPWPAMPSTBLIML-UHFFFAOYSA-N 469.414 1.989 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc(OC)c1OC 254771269 VHSWEPHPQRLKQY-UHFFFAOYSA-N 464.442 1.689 50 10 JDGE COc1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)cc1OC 1084369386 RVIPRQYNLNIZBL-UHFFFAOYSA-N 455.500 1.821 50 10 JDGE CN(C)C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2009111784 ICZZQVQQTOMNQI-KGLIPLIRSA-N 458.378 1.402 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@](C)(=O)C[C@@H]1Cl 2057719463 KEUUKASIKGUWBU-WOTHAOSASA-N 450.856 1.913 50 10 JDGE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNS(=O)(=O)N3CCC(Br)CC3)O2)C1 2162589431 QDTLANOGQZEIME-CQSZACIVSA-N 468.414 1.849 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2nc(B(O)O)ccc2Cl)CCN(Cc2ccccc2)C1 2268633938 FPRAEWAAMIKUFW-JOCHJYFZSA-N 474.754 1.523 50 10 JDGE COc1cc(C(=O)Nc2ncccc2OCC(=O)NN)c(Br)c(OC)c1OC 1858715992 RYLCMECKNUHGEC-UHFFFAOYSA-N 455.265 1.491 50 10 JDGE CN1C[C@H](Br)[C@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000546234 YTRYYHCVZXLPIF-JJRVBVJISA-N 462.341 1.008 50 10 JDGE COc1ccc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2296192972 RPJUFIHAIDSGMS-HXUWFJFHSA-N 471.363 1.017 50 10 JDGE CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1O 3633242 JBFVARRHRCKLFR-FOKLQQMPSA-N 469.506 1.333 50 10 JDGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])CC1 40618818 KLVBYGVHXANPTA-UHFFFAOYSA-N 459.419 1.829 50 10 JDGE CN(C)c1c([N+](=O)[O-])cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1[N+](=O)[O-] 103535963 LOHJHHCDDDZUTR-REZTVBANSA-N 463.319 1.855 50 10 JDGE COc1ccc(C)cc1C1(CNC(=O)NNC(=O)CNC(=O)c2cccs2)CCOCC1 725873967 VPFIXPYSVPKIQY-UHFFFAOYSA-N 460.556 1.874 50 10 JDGE COc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1[N+](=O)[O-] 1860769882 KGAZAIKCZAPGIR-NSHDSACASA-N 471.495 1.961 50 10 JDGE CO[C@](C)(CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533081 ONJVFMCFGUIMHO-IAGOWNOFSA-N 465.341 1.730 50 10 JDGE CN(Cc1ccccc1B(O)O)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283950809 PCQBUIQDZOARRR-VWLOTQADSA-N 467.375 1.494 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCS(=O)(=O)CCCl 2314171729 XQOYJGRVRILYHV-UHFFFAOYSA-N 450.966 1.026 50 10 JDGE CN(C)CCN(/C=C(/C#N)C(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 216883022 GMGLXUFJQUDDEK-MUGAAPJKSA-N 458.628 1.926 50 10 JDGE O=C(COc1nsnc1N1CCOCC1)NN=Cc1sc(=O)n(Cc2ccccc2)c1Cl 254403470 MWTCIWYHZVPLJB-UHFFFAOYSA-N 494.986 1.829 50 10 JDGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1ccc(Br)cc1Cl 728955314 POABCBLVAHKRSY-UHFFFAOYSA-N 453.746 1.472 50 10 JDGE CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1 915199469 CPLDHVYVXMWIEO-MTGKDYNDSA-N 452.540 1.911 50 10 JDGE COc1cc(C=NNc2nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)cc(OC)c1OC 1084454212 HRHBXFLLIAUZOX-LLVKDONJSA-N 465.536 1.561 50 10 JDGE Cc1c(I)c(C)c(B(O)O)c(C)c1CN1CCN(C(=O)OC(C)(C)C)CC1 1887515047 IMWUFIRMPAVQMW-UHFFFAOYSA-N 488.175 1.949 50 10 JDGE CN(Cc1cccc(B(O)O)c1)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284137451 OFSMYOUIWPXISL-UHFFFAOYSA-N 468.359 1.779 50 10 JDGE COc1ccc(C(=O)NC(=S)NNC(=O)c2cc(C)n[nH]2)cc1I 12502981 SRCKVPMPHPXBCQ-UHFFFAOYSA-N 459.269 1.281 50 10 JDGE COc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1c(C)cc(=O)c2nncn21 59446059 HIRIMZLJJMLBEK-KPSZGOFPSA-N 498.135 1.883 50 10 JDGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 217173981 CCPJQCVRWOVAGD-LSVCFVEQSA-N 458.540 1.768 50 10 JDGE O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 729500417 YAFWYUUOWREPCI-KRWDZBQOSA-N 464.519 1.778 50 10 JDGE CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CCC[C@H]2C1 1312819686 FPZJPQYWGBDYPG-KSZLIROESA-N 451.568 1.611 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1 1866807833 BFCFWVRDDRCRET-LJQANCHMSA-N 490.563 1.498 50 10 JDGE COC(=O)[C@H](CCNS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2106297749 ZEAJPYFCUGQTGZ-LBPRGKRZSA-N 458.375 1.137 50 10 JDGE COc1ccc(S(=O)(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2255887600 CJQBYYUDGFOTFJ-UHFFFAOYSA-N 496.350 1.192 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)s1 2256626736 NMHOWXVVPLCOEU-BEFAXECRSA-N 462.377 1.851 50 10 JDGE O=C(NCC1CCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)CC1)OCc1ccccc1 2282352749 BSGPSWNGJFDROJ-UHFFFAOYSA-N 472.781 1.408 50 10 JDGE O=C(N[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(B(O)O)cc2Cl)C1)OCc1ccccc1 2282741087 JLOIXFWPNWABGJ-OKILXGFUSA-N 473.143 1.409 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(NNS(=O)(=O)c3ccc(C)cc3)c2[N+](=O)[O-])cc1 40658857 HXGLHOXMWBWQDX-UHFFFAOYSA-N 473.471 1.764 50 10 JDGE Cc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2C(N)=O)s1 254666443 ADNYLHROQPKRLT-UHFFFAOYSA-N 466.487 1.077 50 10 JDGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254757051 VGGWTYSNJCVMDQ-UHFFFAOYSA-N 476.409 1.179 50 10 JDGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1 1465260863 IDEPYXIGGPPVED-INIZCTEOSA-N 454.483 1.982 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@H](N2CCN(S(=O)(=O)CI)CC2)C1 2007724420 WEIMRLRFKNRXAU-ZDUSSCGKSA-N 473.377 1.726 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1(CBr)CCOCC1 2046030385 XWBQZLCCAZBKGK-KRWDZBQOSA-N 477.352 1.874 50 10 JDGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)c1nscc1B(O)O 2243662609 BSEPJGAPMJIJDY-ZIAGYGMSSA-N 465.340 1.927 50 10 JDGE C[C@H]1CN(C(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@@H](C)O1 2318454637 CSGIQRZTXOZYFQ-GASCZTMLSA-N 468.963 1.816 50 10 JDGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630328 DBFYCTWIBXOJRJ-LHRNQBEKSA-N 457.468 1.272 50 10 JDGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H]1CCCO1 216935216 ZRJANVDFYQHLOC-ZSMUJPCHSA-N 454.936 1.475 50 10 JDGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ccc(S(=O)(=O)O)cc1 216951465 NIZNIAAVFCALBQ-NXVVXOECSA-N 476.536 1.286 50 10 JDGE Cn1c(=O)c2c(nc3n(CCCC(=O)NN=Cc4ccc(O)cc4)c(-c4ccccc4)cn23)n(C)c1=O 254744251 MUMZQWUSFOXGIE-UHFFFAOYSA-N 499.531 1.990 50 10 JDGE COc1cc(C=NNc2nc(SCC(=O)NNC(=O)C(C)C)n[nH]2)cc(OC)c1OC 1084258161 UFBVKRLGSPUYCR-UHFFFAOYSA-N 451.509 1.172 50 10 JDGE C[C@@H](C(=O)NNS(=O)(=O)c1ccc2nc(O)oc2c1)n1cnc2sc3c(c2c1=O)CCCC3 1860770804 XMQAVXRIHLXBIT-JTQLQIEISA-N 489.535 1.754 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@@H]1O 2116224626 LOSTUPJWKRZKMI-BNOWGMLFSA-N 456.403 1.344 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CO 2122366764 BJCYAFSNJCDZDZ-JSGCOSHPSA-N 456.403 1.298 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 2282728067 OJCSXFXACCEECP-INIZCTEOSA-N 452.363 1.063 50 10 JDGE CN1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 687607848 KGHBAVVPEPGEOK-AWEZNQCLSA-N 472.405 1.650 50 10 JDGE COc1ccc(S(=O)(=O)N2CCC(=NNC(=O)Cn3nnc(-c4ccccc4)n3)CC2)cc1 920361967 FNFAKWXPBBKKHO-UHFFFAOYSA-N 469.527 1.306 50 10 JDGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179813798 YUDDFQLKXXXVPV-MSOLQXFVSA-N 455.378 1.552 50 10 JDGE O=C(NC1CCN(S(=O)(=O)c2ccc(Cl)c(B(O)O)c2)CC1)OCc1ccccc1 2282736699 UVKDURFDBVPKKR-UHFFFAOYSA-N 452.725 1.099 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1cc(F)c(F)cc1B(O)O 2379877795 BDIMUACTOSOEPT-SFHVURJKSA-N 478.257 1.610 50 10 JDGE COc1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)C3CCC3)n[nH]2)cc1OCn1cccn1 59880162 MXXNQQLMRNIBEE-SSDVNMTOSA-N 499.557 1.532 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1COC[C@@H]1CBr 1942677328 WPMFMAHMBXOXBY-BBRMVZONSA-N 459.362 1.782 50 10 JDGE CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](NS(=O)(=O)CI)C1 1983327798 QFKYEOPKMTVRIO-SNVBAGLBSA-N 456.306 1.314 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1csc(I)c1 2008523070 YFTHJFWVEIIIHH-BQBZGAKWSA-N 450.117 1.643 50 10 JDGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1)OCc1ccccc1 2044256249 ALPNQARQYBNEDK-IRXDYDNUSA-N 476.393 1.764 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@H](CCl)[C@H](I)CCl)CC1 2295784195 HRUZACOLGQBTLF-GHMZBOCLSA-N 459.177 1.924 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(Br)cn2C)c1 758693317 PWNYYILVINYPDQ-UHFFFAOYSA-N 471.333 1.120 50 10 JDGE C=CCOc1ccc(CC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1638057530 IJINCNUXPSATSQ-UHFFFAOYSA-N 459.524 1.276 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1sccc1I 2008520983 GMPUXWFMPDORJN-CAHLUQPWSA-N 450.117 1.643 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc(OC)c1OC 14011483 VZWBEEGHFYCXND-UHFFFAOYSA-N 489.550 1.914 50 10 JDGE CC1=N[C@]2(/C(C)=N/NC(N)=O)[C@@H](C[C@H]3[C@@H]4CCC5=C/C(=N/NC(N)=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 77286416 PAELSKDZRPCXOH-RXHFDINMSA-N 497.600 1.930 50 10 JDGE in-vitro CCOc1cc(C=NNC(=O)COCC(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O 254516037 QTYQHIINGVQSBJ-UHFFFAOYSA-N 458.471 1.512 50 10 JDGE COC(=O)COc1cccc(C=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c1 1084224515 ZNTAZYUIBMXGFM-UHFFFAOYSA-N 482.518 1.979 50 10 JDGE C#CCCCC(=O)NNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1558514011 WKWLFYUPTGWJSO-KRWDZBQOSA-N 455.540 1.674 50 10 JDGE CN([C@@H]1COC[C@H]1Br)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542873 LVOGBXKIYKOSRP-CPUCHLNUSA-N 463.325 1.435 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1B(O)O)Cc1ccccc1 2267384411 BPBWLQWNFSUOAB-UHFFFAOYSA-N 474.338 1.968 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2sncc2B(O)O)CCN(Cc2ccccc2)CC1 2267441276 SDDAHUFLWDQSSK-UHFFFAOYSA-N 474.392 1.112 50 10 JDGE Cc1csc(CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2268640302 VWUYEMLFRQCEAR-INIZCTEOSA-N 476.360 1.379 50 10 JDGE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2282367212 ZCIQIYXKVCGFIO-HNNXBMFYSA-N 452.725 1.051 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)c1cc(Br)cs1 310420186 YTCPQRQHKMWQOZ-LURJTMIESA-N 454.105 1.766 50 10 JDGE O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)c1csc(N2CCOCC2)n1 768990332 SVMHTCXLMTWMKM-UHFFFAOYSA-N 473.536 1.103 50 10 JDGE O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860771534 ZKVRSORUMHLWQZ-UHFFFAOYSA-N 493.545 1.561 50 10 JDGE Cn1cc(Br)c(S(=O)(=O)N2C[C@@H](Br)[C@H](Br)C2)n1 1910007617 VZMIKLDWFQLRQV-PHDIDXHHSA-N 451.966 1.714 50 10 JDGE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106773050 JMQFHTHSBSDOPJ-CMPLNLGQSA-N 450.321 1.870 50 10 JDGE Cn1ncc(I)c1CNS(=O)(=O)N1CCC(Br)CC1 2133344367 XMUFEMJAVZIFEI-UHFFFAOYSA-N 463.139 1.218 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)CO[C@H]1C2 2266547614 UWFHEWJQBYYUOV-WWGRRREGSA-N 454.387 1.505 50 10 JDGE C=C[C@@](C)(O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1587356830 BLQFZMNQHLQWPC-LJQANCHMSA-N 453.904 1.847 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1Cc2cccc(B(O)O)c2C1 2268715946 BBWANRCVTHKYEL-LJQANCHMSA-N 454.332 1.709 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)cc(B(O)O)c1 2282309556 HBUIVCNPDBPHPL-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c2C1 2283958136 WCIHWGBSKCBAOE-VGSWGCGISA-N 468.359 1.750 50 10 JDGE CC(C)C(=O)NNC(=O)[C@@H](C)Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253578385 YGQKTNKXIINTAJ-KFPHLYOZSA-N 465.452 1.351 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)c1OC 254510991 QJTFQRSXNIZEBG-UHFFFAOYSA-N 478.425 1.409 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCN2CCO[C@@H](C)C2)cc1 725716894 CBDTZURUXGASKJ-AMRJIULGSA-N 466.542 1.178 50 10 JDGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(NN=Cc2c(O)ccc3ccccc23)n1N 1084448604 XIDFXFJKVQAAOE-UHFFFAOYSA-N 456.532 1.582 50 10 JDGE C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)ccc1F 1303854352 YMTMPUKWPMUZPS-AWEZNQCLSA-N 456.496 1.060 50 10 JDGE COc1cc(C(=O)NCC(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)cc(OC)c1OC 1873777835 UAQHQZIQNDVJHH-HNNXBMFYSA-N 471.514 1.219 50 10 JDGE Cn1ncc(C(=O)NC[C@@H](Br)CBr)c1I 1961825775 YYMPEHMFPUEKDC-YFKPBYRVSA-N 450.900 1.913 50 10 JDGE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NS(=O)(=O)CI)CC1 1983328500 YFSHDHAZSCWWJY-JOCHJYFZSA-N 481.378 1.664 50 10 JDGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@H]2COC[C@@H]21 2162598896 CRRVWUMVBHNCSG-QEJZJMRPSA-N 468.414 1.705 50 10 JDGE Cc1sc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1B(O)O 2267042570 WHQZMKMKLDKSIF-UHFFFAOYSA-N 485.412 1.664 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284142954 NDFWPMYEAWKZNC-INIZCTEOSA-N 489.403 1.796 50 10 JDGE NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(I)cc1 35669617 KJASJTZMHAMKOH-INIZCTEOSA-N 484.319 1.652 50 10 JDGE CCOc1cc(C=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)ccc1O 1083892653 ZVQJRLWMXQYYKI-UHFFFAOYSA-N 455.500 1.908 50 10 JDGE COc1ccc(C=NNC(=O)c2nonc2C(=O)NN=Cc2ccc(OC)cc2OC)c(OC)c1 1084148439 CGTCTXOFNITLHO-UHFFFAOYSA-N 482.453 1.632 50 10 JDGE CN([C@@H]1COC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942097478 IMBFQKQKZSZXAM-HZPDHXFCSA-N 459.362 1.877 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2coc(B(O)O)c2)CCN(Cc2ccccc2)CC1 2267329120 RVFJUPHMNKYPQD-UHFFFAOYSA-N 457.336 1.249 50 10 JDGE Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 39919032 OEBJOJLXHIZQQQ-RUZDIDTESA-N 461.522 1.228 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)ccc1O 254843528 ZCNANHNVIWSCGR-UHFFFAOYSA-N 475.516 1.047 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN2C[C@@H](Br)C[C@@H]2C1 703959477 ZPJKZLXPHIXNJM-LSDHHAIUSA-N 484.416 1.792 50 10 JDGE COc1ccc(CCNC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)cc1OC 725428222 VTQLZOFTJVLXML-UHFFFAOYSA-N 470.526 1.416 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NN(C)C(N)=O)(c3ccccc3)CC2)c1 1295202098 UPHXTPJIPZXXJS-UHFFFAOYSA-N 458.540 1.653 50 10 JDGE COC1CC(CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2077902196 KGELQOUZAZWCLE-KQJRHQORSA-N 477.352 1.873 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]2(C[C@@H](Br)CO2)C1 2137124750 FDBOFVSOBPWYFY-ZNZDAUKMSA-N 489.363 1.969 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2B(O)O)CCN1C(=O)OC(C)(C)C 2247760260 FIVBFNBCJCMURA-UHFFFAOYSA-N 455.342 1.273 50 10 JDGE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(B(O)O)s1 2267425648 SOWOPVNJOWHKKN-GOSISDBHSA-N 473.404 1.588 50 10 JDGE Cn1c(CC(=O)NNC(=O)CCc2nc(=O)c3cnn(-c4ccccc4)c3[nH]2)nc2ccccc21 17411259 QKXJRPKEWSPDRZ-UHFFFAOYSA-N 470.493 1.318 50 10 JDGE C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)c2ccccc21 39919039 GBKLICFSYYSKPU-MHZLTWQESA-N 487.560 1.784 50 10 JDGE O=C(NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658107 ZXUIWCNRWIJVPJ-UHFFFAOYSA-N 456.350 1.946 50 10 JDGE CCC(CBr)(CBr)NS(=O)(=O)c1c(Br)nnn1C 232872889 JDTKQXOUOSGMKL-UHFFFAOYSA-N 468.997 1.795 50 10 JDGE C=CC(C)(C)CCNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1479031279 FZHOKJFODPZXCO-UHFFFAOYSA-N 452.577 1.573 50 10 JDGE C=C[C@](C)(O)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 1587356829 BLQFZMNQHLQWPC-IBGZPJMESA-N 453.904 1.847 50 10 JDGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747667 RZXRAEUZJNJXSV-UHFFFAOYSA-N 483.525 1.958 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCN(CCBr)CC1 1942096079 ZSBCIBKBWFHEGZ-UHFFFAOYSA-N 458.378 1.405 50 10 JDGE OB(O)c1ccnc(Nc2cc(I)cc(I)c2)c1 2223678759 HOBBWQONPMDNQU-UHFFFAOYSA-N 465.825 1.714 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)c(B(O)O)c2)C1 2255885328 OJQQPMFPECVEMG-UHFFFAOYSA-N 480.779 1.830 50 10 JDGE Cc1csc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1B(O)O 2267069834 XKYHVXXEPFROMS-GOSISDBHSA-N 473.404 1.588 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B(O)O 2268641659 OQVFHLDTZRTEGB-LAUBAEHRSA-N 456.348 1.823 50 10 JDGE CN1CCC(CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2352949323 CKOZKGIYUOQNBS-GOSISDBHSA-N 490.395 1.790 50 10 JDGE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 20924147 IDDHMNIFRFBEEW-OPEKNORGSA-N 494.512 1.989 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H]1CBr 703993956 NCSVHSGIDGLMMA-CYBMUJFWSA-N 459.362 1.734 50 10 JDGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728846566 OYIYNWBKYWTKDH-UHFFFAOYSA-N 479.585 1.804 50 10 JDGE Cc1nc(S(=O)(=O)NC[C@@H](Br)CBr)c(Br)n1C 2005150908 LDNMAUUFXCXLOU-LURJTMIESA-N 453.982 1.928 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2c(Cl)cccc2B(O)O)C1 2281633553 GJGRJZPALKTBIK-GOSISDBHSA-N 487.793 1.871 50 10 JDGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 2314109223 QUUZCYLFHYQURI-QGZVFWFLSA-N 467.507 1.679 50 10 JDGE C=C(CC)CNC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1470504519 UBUXOLOOWYNXNB-INIZCTEOSA-N 454.549 1.249 50 10 JDGE CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(S(=O)(=O)CI)C2)CC1 2007724189 UWKZMCPDBQALAU-CYBMUJFWSA-N 473.377 1.772 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]2[C@H]1CO 2235559099 VFHMNWDGYPEZOG-NWANDNLSSA-N 468.414 1.250 50 10 JDGE Cc1cc(S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)ccc1B(O)O 2255755545 RDMZJQBAMNTFPJ-UHFFFAOYSA-N 462.377 1.781 50 10 JDGE Cc1cc(B(O)O)c(C)cc1NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268603453 QVANRGGHNRNBDL-UHFFFAOYSA-N 455.364 1.949 50 10 JDGE C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2268630812 PFEORNOUXYYVJB-YOEHRIQHSA-N 476.360 1.632 50 10 JDGE CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCOC)C1 34829404 YKLKITOMMTZWJW-GFWHJHDHSA-N 467.526 1.452 50 10 JDGE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)Cc3ccccn3)cc21 729664856 XTQSBMYTOUXOAT-UHFFFAOYSA-N 453.318 1.305 50 10 JDGE CC(C)(C)C(=O)NNC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1083980802 SBYFHIYJBBQXPR-UHFFFAOYSA-N 465.452 1.353 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NC(=O)N2CCC(Br)CC2)C1 1877658147 GRRQOJSWVDFCGB-OLZOCXBDSA-N 454.387 1.588 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1C[C@H](CBr)CO1 1995957912 PMQHHKMONXLVSC-KGLIPLIRSA-N 459.362 1.782 50 10 JDGE CC(C)(C)OC(=O)N1CCC(N2CCN(S(=O)(=O)CI)CC2)CC1 2007719937 JIECEPSNUUKSOK-UHFFFAOYSA-N 473.377 1.726 50 10 JDGE CN(C)[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2029435372 MINGZVBRAYNUEX-CVEARBPZSA-N 472.405 1.648 50 10 JDGE C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc(CBr)oc1Br 2179775045 JETLLXGSMIEJCO-ZETCQYMHSA-N 451.158 1.745 50 10 JDGE Cc1nc(NC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)ncc1B(O)O 2283986480 QYOVITMZFHTPMW-HSZRJFAPSA-N 470.335 1.247 50 10 JDGE N#CCC(=O)NN=Cc1cc(I)c(O)c(I)c1 252632182 VPZGFHBNLBKJOY-UHFFFAOYSA-N 454.993 1.965 50 10 JDGE COc1ccc(C=NNC(=O)CC(=O)NN=Cc2ccc(OC)c(OC)c2OC)c(OC)c1OC 254507908 RHIFIZNYOLSSPX-UHFFFAOYSA-N 488.497 1.729 50 10 JDGE COc1ccc(C(=O)NCC(=O)NN=Cc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 254554970 MNEXCRNLQBJFGA-UHFFFAOYSA-N 476.358 1.309 50 10 JDGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 919976110 ABTKVNZIKFBHRB-PGMHBOJBSA-N 457.538 1.817 50 10 JDGE OB(O)c1cc(I)c(Br)cc1I 2059985056 UHFZYJQNXZYXPS-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268649752 KOIDMULEHRPOFN-IBGZPJMESA-N 457.336 1.339 50 10 JDGE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccncc1 2296881416 GGMCVYXBXUDQGW-UHFFFAOYSA-N 456.505 1.863 50 10 JDGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 2325215860 UPXMLQSWBAGIHN-OAHLLOKOSA-N 455.924 1.645 50 10 JDGE CN(C)CCN(C=C(C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 2325255225 HHROEEOGQZYQGB-HNNXBMFYSA-N 455.924 1.645 50 10 JDGE CN(C[C@@]1(Oc2cc(B(O)O)c(F)cn2)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2343962360 ZBFRPFOHNKRZDN-QHCPKHFHSA-N 459.327 1.791 50 10 JDGE COC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br 12500840 RDLHJSLTGPHQLX-UHFFFAOYSA-N 497.165 1.566 50 10 JDGE C=CCC(C)(C)CNC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1229050458 AQCFYMPTSBTYIH-UHFFFAOYSA-N 452.577 1.573 50 10 JDGE C#C[C@@H](NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)C1CCOCC1 1674591441 UCFBOGNPNPOKBG-OAQYLSRUSA-N 459.510 1.761 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](OC2CCN(S(C)(=O)=O)CC2)C1 2249187378 HOGQIURRTLRDBY-STQMWFEESA-N 474.361 1.850 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc21 2268633730 DSWSMHLDGGHOKN-KKSFZXQISA-N 454.332 1.754 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283947979 HNAPKVDYZYKHGI-YOEHRIQHSA-N 491.375 1.369 50 10 JDGE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2289508399 KTRLQFQJWWOLPP-HIFRSBDPSA-N 470.430 1.952 50 10 JDGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623572 KSZYNJYVUQNNNC-LJQANCHMSA-N 484.578 1.786 50 10 JDGE COc1ccc(C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1CCOCC1 15092788 SRTBADBQKSVXKJ-UHFFFAOYSA-N 472.523 1.283 50 10 JDGE COC[C@@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978676023 HZENTLJTFRYTJU-MEDUHNTESA-N 451.314 1.340 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@]2(C[C@H](Br)CO2)C1 2023480486 BUNFVVRSNVTRIW-UGSOOPFHSA-N 457.346 1.631 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cscc1B(O)O 2255719783 IJTGNGWHUCINES-UHFFFAOYSA-N 471.385 1.356 50 10 JDGE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cc(B(O)O)cs1 2268633775 ULNWHGOVWSVFIE-HJPURHCSSA-N 473.404 1.775 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2268655300 KEIJJAZKXGJZHL-VCBZYWHSSA-N 477.392 1.841 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCCc1c(F)cccc1B(O)O 2273938348 ZATWDOOTVPKPPJ-FQEVSTJZSA-N 460.311 1.274 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)[C@@H]2COC[C@@H]21 2308664608 YKUJKZOCLMJNCO-XHSDSOJGSA-N 471.373 1.733 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 1135447516 UYQJOPMSSNPCOB-FQEVSTJZSA-N 451.932 1.485 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(S(C)(=O)=O)cc1 1467429275 GVQGCKMMDUQUDQ-LJQANCHMSA-N 454.455 1.573 50 10 JDGE C#CCCCC(=O)NNC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1635718535 KXFOHEUCCWOJBR-WBVHZDCISA-N 455.374 1.993 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@@H](C)N4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860769763 HEQVKRWMMOPJSS-CHWSQXEVSA-N 493.545 1.415 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)C2(CCOCC2)C1 1983326869 GBUWUPUZLVMFKE-LLVKDONJSA-N 460.334 1.857 50 10 JDGE CO[C@@](C)(CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533082 ONJVFMCFGUIMHO-IRXDYDNUSA-N 465.341 1.730 50 10 JDGE NNC(=O)c1cncc(Cn2cnc(I)c2I)c1 2027474247 GXPSWMVNROICBG-UHFFFAOYSA-N 469.024 1.139 50 10 JDGE CO[C@@H]1CN(C(=O)c2cc(I)sn2)[C@@H](CBr)[C@H]1OC 2225084031 RFDVDXALJBVSEN-QXFUBDJGSA-N 461.119 1.997 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@]2(CBr)C1 2226181588 JFKUAGQMBMBSQI-AGRHKRQWSA-N 489.363 1.684 50 10 JDGE O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(F)c(Br)c2)[C@@H](Br)C1 2240878446 USLBHJJAGVFDGF-WPRPVWTQSA-N 451.133 1.427 50 10 JDGE Cc1ccc(B(O)O)c(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1 2266955383 NSZSOCICTHQSFR-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C#N)=Cc3ccc(OCC(N)=O)cc3)cc2)n1 2295623513 QFQPBCSOXROGLH-UHFFFAOYSA-N 492.517 1.996 50 10 JDGE N#CC(=C[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)N1CCN(c2ccccc2)CC1 2313565368 YSLUQOZKHCHTNN-HXUWFJFHSA-N 459.531 1.849 50 10 JDGE O=S(=O)(CCBr)CCNS(=O)(=O)c1ccc(Br)cc1F 2360907570 DUJISWZHUWEKKG-UHFFFAOYSA-N 453.149 1.676 50 10 JDGE O=C(NCCN1CCN(C(=O)CCCBr)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 20904580 SXJOOVVUVPOAQX-KRWDZBQOSA-N 465.392 1.475 50 10 JDGE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccncc1 33932692 GGMCVYXBXUDQGW-MHWRWJLKSA-N 456.505 1.863 50 10 JDGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 102849012 DHJKXAXFYUSTGE-QBOMHBFWSA-N 468.466 1.836 50 10 JDGE N#C/C(=C\[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)N1CCN(c2ccccc2)CC1 103882612 YSLUQOZKHCHTNN-UQCBTIDJSA-N 459.531 1.849 50 10 JDGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCCCN1CCCC1=O 216757120 YTYTUDIKZUYEQJ-NXVVXOECSA-N 495.989 1.309 50 10 JDGE CC(C)N1C(=O)C(=NNC(=O)CC(=O)NN=C2C(=O)N(C(C)C)c3ccccc32)c2ccccc21 254451909 XYENJDNHGNETTA-UHFFFAOYSA-N 474.521 1.928 50 10 JDGE Cc1ccc(/C=N/NC(=O)Cn2c(NCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 606630620 ONGHJUPTNDZFLF-VULFUBBASA-N 459.510 1.505 50 10 JDGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 747368831 BIHWBASFIGPMKK-HSZRJFAPSA-N 495.649 1.853 50 10 JDGE CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 1901529014 FJQRCHKOPLHYEX-HXUWFJFHSA-N 465.340 1.756 50 10 JDGE CO[C@H]1C[C@H](Br)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2000967910 QNJCUVXVMIPCJV-KBPBESRZSA-N 459.362 1.877 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ncc(B(O)O)cc2F)C1 2268796941 DHPKDPOEDHZPRM-UHFFFAOYSA-N 459.283 1.293 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2c(OC)cccc2S(C)(=O)=O)s1 1632438037 NNWQNQRHWJODGE-UHFFFAOYSA-N 459.571 1.310 50 10 JDGE CNC(=S)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859008210 JQQOULSDEVVVEE-UHFFFAOYSA-N 456.477 1.848 50 10 JDGE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961562 LWRYNOIPSMEDRM-SJORKVTESA-N 467.526 1.834 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@H]2COC[C@@H]12 2106773442 LEYKITLDBBSOQC-MJBXVCDLSA-N 454.387 1.314 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]2COC[C@@H]21 2132566109 BYHCPJNUZGUFCN-UONOGXRCSA-N 454.387 1.411 50 10 JDGE CN([C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267386211 RLRIBKLPTPFLJV-KBPBESRZSA-N 458.754 1.159 50 10 JDGE Cn1ncc(C(=O)N2C[C@@H]3OC[C@H](CBr)O[C@H]3C2)c1I 2279927869 GHGCKXORTDPWRL-HGNGGELXSA-N 456.078 1.028 50 10 JDGE CC[C@@]1(NS(=O)(=O)c2sccc2B(O)O)CCCN(C(=O)OCc2ccccc2)C1 2282071681 VCXUBARNQMOVIG-LJQANCHMSA-N 452.363 1.288 50 10 JDGE C=CCN1C(=NC=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@@H]21 2296564562 OFLMKAIZSDCAEC-PXNSSMCTSA-N 490.607 1.526 50 10 JDGE O=S1(=O)C[C@H](Br)[C@@H](SS[C@@H]2CS(=O)(=O)C[C@H]2Br)C1 59568327 HUVLDIWTBYHXSC-KVFPUHGPSA-N 460.256 1.489 50 10 JDGE COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 101112801 FRSKECHDCPAOHG-WJDWOHSUSA-N 454.468 1.420 50 10 JDGE C[C@H](Cl)C(=O)NC1CCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169898180 VYOSMHWZHOXHAA-LBPRGKRZSA-N 450.879 1.706 50 10 JDGE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NNC(=O)c3cccc4cccnc34)CC2)C1 731222080 LUIJLSLPJNNKPD-PKOBYXMFSA-N 452.559 1.902 50 10 JDGE O=C(NCCc1c[nH]c2cc(F)ccc12)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 747985727 GMULHVYJIMVOQI-UHFFFAOYSA-N 489.529 1.515 50 10 JDGE C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1 1471337580 PMIOOLYYCVLHFF-LJQANCHMSA-N 458.522 1.486 50 10 JDGE C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1I)[C@@H]2[C@@H]3C(=O)O 1848441421 WLHKCLCEVMWIKC-AYBGOBCSSA-N 474.291 1.665 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860769903 LBUFIZHHAFUIEF-LBPRGKRZSA-N 479.518 1.026 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2076785694 WCEDYPQXMMLDPT-JLTOFOAXSA-N 495.664 1.742 50 10 JDGE C[C@H](NS(=O)(=O)N1CCC(Br)CC1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2162590468 BUJSMLUXCPQGPO-ZDUSSCGKSA-N 470.430 1.831 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H](CCl)[C@H]1OC 2233353427 GWOXAMFFXABAPX-KZNAEPCWSA-N 458.964 1.736 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCCc2ccc(B(O)O)cc21 2268721235 IKEGRJYZHCZVLU-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2283966095 ZSPVXYYATRIPST-UZLBHIALSA-N 470.331 1.570 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1B(O)O 2320682360 VXMZMGQNSGYDFU-MRXNPFEDSA-N 481.811 1.723 50 10 JDGE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2cn(C)c3ccccc23)C1 728203011 FDDQESDJGYFQME-HNNXBMFYSA-N 458.544 1.380 50 10 JDGE O=C(N[C@@H]1CC[C@H](C(F)(F)F)N(S(=O)(=O)CI)C1)C(F)(F)F 1983328226 VJCVIYFOJWPYLA-PHDIDXHHSA-N 468.157 1.783 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 2177842064 AARPXFFNXFNLLX-VXNVDRBHSA-N 467.588 1.941 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2OCC[C@@]2(CBr)C1 2253351030 NEYISWMAOAMQEC-MAUKXSAKSA-N 457.346 1.488 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1ccc(B(O)O)cc1F 2285187003 XKPKRTLTZOJIJH-IBGZPJMESA-N 474.294 1.149 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NS(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2368873488 OCUWSXBITRQMHF-QLFBSQMISA-N 468.414 1.847 50 10 JDGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1Br 13630196 DLGSHVVBLYYCMM-LLVKDONJSA-N 465.329 1.726 50 10 JDGE COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c(OC)c1 725414739 WNFYFQIKFHMKGY-IBGZPJMESA-N 484.509 1.467 50 10 JDGE CC1(C)[C@H](CBr)OCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1997291541 ULKOLVCMCLRXSB-HNNXBMFYSA-N 459.362 1.877 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OC[C@@H](CCl)O[C@H]2C1 2279895710 PYSFQOPYEZXKGZ-JLSDUUJJSA-N 456.948 1.490 50 10 JDGE CC(C)n1cc(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2281709046 AHOAVEIVMWIVSU-UHFFFAOYSA-N 480.371 1.594 50 10 JDGE CC(C)C[C@@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)O 2325019893 GSBMGYQWZZCPPM-GOSISDBHSA-N 484.962 1.796 50 10 JDGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 40658448 LKEPZUVSQZKIIA-UHFFFAOYSA-N 465.430 1.772 50 10 JDGE Cc1ccc(S(=O)(=O)N(C)CC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1C 728209260 AGGODBDBCCWXLC-UHFFFAOYSA-N 466.585 1.508 50 10 JDGE O=C(c1cc(I)sn1)N1CCn2c(CBr)nnc2C1 2120031166 GREWMWIURAIAAT-UHFFFAOYSA-N 454.091 1.890 50 10 JDGE CO[C@@H]1CN(C(=O)c2cnn(C)c2I)[C@@H](CBr)[C@H]1OC 2233351863 CCDWZWIXWFMCHT-IVZWLZJFSA-N 458.094 1.274 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCN(CCCCl)CC1 2366449866 FCSOUNKMDSZGIO-HXUWFJFHSA-N 459.971 1.977 50 10 JDGE COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(C[C@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39918725 VOUCTOPOQMFVNO-CPJLOUKISA-N 462.506 1.701 50 10 JDGE C=C[C@H](CO)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1585421611 JSUYRQWPZPTFQV-LEHPZIBWSA-N 458.316 1.758 50 10 JDGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)CI)C1 1884474959 WUAKOKTVUFUDNX-LXGOIASLSA-N 452.336 1.721 50 10 JDGE C[C@H](c1cscc1B(O)O)N(C)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268651851 QGARFCMXENDXRD-UZLBHIALSA-N 475.420 1.973 50 10 JDGE Cn1nc(Br)c(Br)c1[C@H](Cl)CS(=O)(=O)N1CCOCC1 2364234298 IWQSDEDLJJIKOH-SSDOTTSWSA-N 451.568 1.887 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Cl)cc2Cl)c1CN1CCCC1 3664278 MHUDMTZIWKDSEI-UHFFFAOYSA-N 450.290 1.899 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)nnn1-c1nonc1N)c1ccccc1 254845748 YZJBJVQGBFZXSN-UHFFFAOYSA-N 462.430 1.541 50 10 JDGE CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)CN1CCN(Cc2ccc(C)cc2)CC1 1566279042 BHNZZWFNXZKBMD-KGENOOAVSA-N 455.584 1.499 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)CCN1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)c1 1638063752 ZZLICXVTBHELCU-VFVRVIDISA-N 455.353 1.273 50 10 JDGE Cc1ccc2c(c1)C(=NNC(=O)CCCC(=O)NN=C1C(=O)N(C)c3ccc(C)cc31)C(=O)N2C 1772720409 NOUZLBUVHJOXOQ-UHFFFAOYSA-N 474.521 1.767 50 10 JDGE CC1(C)OC[C@@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H]1Br 2078733581 NSGAXYJERSTFAD-GLJUWKHASA-N 477.352 1.871 50 10 JDGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1nscc1B(O)O 2256621573 WODCNTCOHDXCBW-PMUMKWKESA-N 463.365 1.499 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(Cl)c(B(O)O)c2)C1 2281713696 PTZQWXGFIWLTJJ-IBGZPJMESA-N 487.793 1.871 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCCc1c(F)cccc1B(O)O 2289645631 DXSCYPWDMYBPQE-SFHVURJKSA-N 474.338 1.664 50 10 JDGE COc1cc(C=NNC(=O)CCc2nnc(O)nc2O)cc(OC)c1OCc1ccccc1 2323177953 OEIJNWRASVIYSU-UHFFFAOYSA-N 453.455 1.962 50 10 JDGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 2325452254 MMDIQEAOQPAKJT-UHFFFAOYSA-N 479.606 1.745 50 10 JDGE C#CCNS(=O)(=O)c1cccc(C(=O)NNc2ccccc2I)c1 1589716390 ASUVTNMWSVFBPK-UHFFFAOYSA-N 455.277 1.960 50 10 JDGE COc1cc(C=CC(=O)O)cc(S(=O)(=O)NNC(=O)Cc2nc3ccccc3n2C)c1OC 2040454584 YPTGVLLKFMUICN-UHFFFAOYSA-N 474.495 1.241 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B(O)O)o2)CCN(Cc2ccccc2)CC1 2266883175 AFGNDVLJHAATPR-UHFFFAOYSA-N 457.336 1.249 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)cc1 2268654465 ZSLDVLQDOBYZNX-UWJYYQICSA-N 456.348 1.823 50 10 JDGE COc1cc(C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(C)=O 254879306 JUVBBLFLXCDDFC-UHFFFAOYSA-N 459.455 1.526 50 10 JDGE CN1C[C@H](Br)[C@@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000546233 YTRYYHCVZXLPIF-GRDNDAEWSA-N 462.341 1.008 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2116265892 AIJJQYSSIOICBQ-GXTWGEPZSA-N 456.403 1.298 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(I)ccc1O 2121336239 FQFTUGQQIHJKJW-DTWKUNHWSA-N 460.087 1.287 50 10 JDGE CC(C)(C)OC(=O)NCC1(Nc2nccc(B(O)O)c2F)CCN(Cc2ccccc2)CC1 2231645703 KNHDNKLWADEVFC-UHFFFAOYSA-N 458.343 1.872 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B(O)O)c(Cl)s1 2255595580 JQKUENLAHVRCJR-UHFFFAOYSA-N 491.803 1.573 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccnc(B(O)O)c2)C1 2268650703 QWYFEWLOOMSPKS-QHCPKHFHSA-N 455.320 1.544 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2cc(B(O)O)ccc2C1 2268714403 JPWYUAZADAYFIM-OAQYLSRUSA-N 454.332 1.361 50 10 JDGE CN1CCC(N(C)C(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 2324777932 MSLSKCKOHHDVMQ-UHFFFAOYSA-N 482.006 1.733 50 10 JDGE COCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13629928 VTBLMGDSCBKJTF-CQSZACIVSA-N 480.315 1.877 50 10 JDGE COc1cccc(/C=N/NC(=O)Cn2c(NCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1 606630431 PSCYVOPJMKJTQH-VULFUBBASA-N 475.509 1.205 50 10 JDGE COc1cc2c(cc1OC)[C@@H](CC(=O)NNC(=O)Cc1cccc(O)c1)N(S(C)(=O)=O)CC2 725880898 NHIOACFHTMDPTJ-GOSISDBHSA-N 477.539 1.048 50 10 JDGE C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1nn(Cc3ccccc3)c(=O)c3ccccc13)CS2 904220573 CZRQGOKJESTUQZ-UUOWRZLLSA-N 477.546 1.660 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1 1084266764 XKZXKNGJNZLZPQ-HXUWFJFHSA-N 472.929 1.781 50 10 JDGE CN(C)[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 1942272147 ADMMEIAOTHCKOP-CVEARBPZSA-N 458.378 1.402 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@@H](C(F)(F)CBr)C1 1991994967 XCEHZBNIKWDYEA-LLVKDONJSA-N 451.289 1.965 50 10 JDGE CC(C)(C)OC(=O)NCc1csc(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)n1 2282733336 ULCDCHJSBGVBKE-UHFFFAOYSA-N 453.760 1.363 50 10 JDGE Cn1nc(Br)c(Br)c1CNc1ncc(Br)cc1B(O)O 2364346167 XMCLSCFSESTYEA-UHFFFAOYSA-N 468.740 1.395 50 10 JDGE Nn1c(NN=Cc2cccc3ccccc23)nnc1SCC(=O)NNC(=O)C(F)(F)F 1084371282 JHVRQRXFWQMRJY-UHFFFAOYSA-N 452.422 1.393 50 10 JDGE CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 1679491524 DKUVBHKINZUYBU-INIZCTEOSA-N 455.515 1.018 50 10 JDGE CN(C)CCN(CCBr)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046019077 MCBUDMLZYXGSPR-SFHVURJKSA-N 478.384 1.599 50 10 JDGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CCO1 2106296806 CDJBJSKYQTUUCT-KBPBESRZSA-N 456.403 1.752 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(Cl)cc(B(O)O)c2)C1 2266940508 JVPWRPPWDCHSOW-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284059914 WMHKIESSZOMKJH-XMMPIXPASA-N 487.431 1.864 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)NNC(=O)c2ccc(OC)cc2)cc1 96480353 LRESCRPWZXOABA-NVNXTCNLSA-N 489.550 1.743 50 10 JDGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cccc(S(=O)(=O)O)c1 216961258 BJDYNNLBNDKXLF-VKAVYKQESA-N 470.507 1.826 50 10 JDGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NC[C@@H]2CCCO2)cc1 1084057171 NTWFJZJCIWHPCL-SFHVURJKSA-N 454.483 1.458 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1cccc2cccnc12)c1ccc(S(C)(=O)=O)cc1 1542381244 REUTZCFYQGVHGB-JOCHJYFZSA-N 454.508 1.451 50 10 JDGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2048330564 UMCCTHKZXSZFIB-LXIYXOSZSA-N 477.352 1.825 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(OCCCBr)C1 2085892027 AGXPEZPREROZQV-SFHVURJKSA-N 477.352 1.826 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNS(=O)(=O)N2CCC(Br)CC2)C1 2237819811 HPMVWSDEPDIEKL-SUMWQHHRSA-N 468.414 1.706 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2256619943 CGQMCTSCVRDMOJ-LJQANCHMSA-N 461.755 1.984 50 10 JDGE Cc1ccc(B(O)O)cc1C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2282224473 MUTZERFLBLELSL-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE C=CCN1C(=N/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@@H]21 254877708 OFLMKAIZSDCAEC-GQYOKZNTSA-N 490.607 1.526 50 10 JDGE Cc1csc(CC(=O)NNC(=O)COC(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)n1 728735399 RXXXQDJFSVULJP-UHFFFAOYSA-N 487.582 1.649 50 10 JDGE CC(=O)N1CC[C@@](C)(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C1 1540502315 SWAALPBYMDMJII-LJQANCHMSA-N 450.542 1.568 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B(O)O)cs1 2255762820 BAXQDNFCGUOUTD-UHFFFAOYSA-N 471.385 1.356 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1B(O)O 2268644330 OWOZGUPLDPZULZ-SFHVURJKSA-N 476.722 1.985 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCc2cc(B(O)O)cs2)C1 2268679271 MHAALGGBNDKAMB-HSZRJFAPSA-N 474.388 1.888 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCCc1ccccc1B(O)O 2268702995 YUYANEPNUKEOTL-HXUWFJFHSA-N 456.348 1.525 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCCc1c(F)cccc1B(O)O 2273934802 ZATWDOOTVPKPPJ-FQEVSTJZSA-N 460.311 1.274 50 10 JDGE N#CC(=CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)N1CCN(CCN)CC1 2325511674 IJIDYCDQLRBNPC-UHFFFAOYSA-N 458.610 1.904 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccnc1)C=2C(=O)Nc1ccc(C)c(C)c1 199503737 LAZYCOLGPFHURT-CYEGBWLXSA-N 487.541 1.113 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)[C@H]2C1 1686694230 JYALFXYJZVCAKO-ILWGZMRPSA-N 456.591 1.176 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@@H]21 2046022078 HNAHLDWOINPGSN-LLDVTBCESA-N 475.336 1.435 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2106306123 VWNADLGRRRCRGF-CYBMUJFWSA-N 456.403 1.564 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(Cl)c1B(O)O 2256089734 YHEBLAFMCYMSHN-UHFFFAOYSA-N 471.747 1.168 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1B(O)O 2256668552 BUVPPOFNURUARJ-MRXNPFEDSA-N 450.247 1.693 50 10 JDGE COc1ccc(S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1B(O)O 2267629540 ZDQWXIBCXBBKHL-UHFFFAOYSA-N 478.376 1.481 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2Cc3cccc(B(O)O)c3C2)C1 2284136677 FLHUWKNYCYUYJK-UHFFFAOYSA-N 466.343 1.663 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 12569879 WPTNKFCPCUGIKR-UHFFFAOYSA-N 479.511 1.688 50 10 JDGE CC(C)(C)c1ccc(C(=O)NNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1 17518599 OYEKTCUDCFGHLF-LJQANCHMSA-N 495.623 1.527 50 10 JDGE COc1ccccc1C(=O)NNc1ncnc(NNS(=O)(=O)c2ccc(C)cc2)c1[N+](=O)[O-] 40658500 BRKMLOQGPLYZBP-UHFFFAOYSA-N 473.471 1.764 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(I)ccc1F 2121333273 KTCDLAHVLDMDAC-WPRPVWTQSA-N 462.078 1.721 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2256679515 XOYQZCKHCGWNFX-QGZVFWFLSA-N 462.377 1.853 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(N)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297643071 GFJQQPYCTIQFPJ-IFUCZAKDSA-N 461.559 1.353 50 10 JDGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2ccccc2F)c1[N+](=O)[O-] 40658198 KMERUXAZKJRFOE-UHFFFAOYSA-N 470.377 1.875 50 10 JDGE CC(=O)NNC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCCC2)[nH]1 253567650 KHLRPGZCVQNDJM-YDZHTSKRSA-N 496.601 1.995 50 10 JDGE COc1cc(C=NNC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc(OC)c1OC(C)=O 254506609 URGBFNXVNKBRTK-UHFFFAOYSA-N 492.452 1.606 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1CCCN(CCBr)C1 704004628 AAKKXEUWUGRPCK-AWEZNQCLSA-N 458.378 1.451 50 10 JDGE C[C@@H](NC(=O)NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(N2CCCC2=O)cc1 728950399 MTTGPRVOKXKPHW-MRXNPFEDSA-N 451.531 1.911 50 10 JDGE CC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C1 1637256777 MZLQVRIJQZHTTF-CYBMUJFWSA-N 451.530 1.114 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@]1(CBr)CCOC1 1942088801 MOCOMUQNGBEFSP-SFHVURJKSA-N 459.362 1.926 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CCO[C@]2(CBr)C1 2217080181 GMSZUINKHYQLHX-SCLBCKFNSA-N 457.346 1.488 50 10 JDGE O=C(N[C@H]1COCC[C@@H]1Nc1ncc(Br)cc1B(O)O)OCc1ccccc1 2223665426 AZVBRJBOBDZSKP-HOTGVXAUSA-N 450.098 1.020 50 10 JDGE Cc1cc(CN(C)C(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2256670937 LROJHZIQQZGUPM-SFHVURJKSA-N 462.377 1.805 50 10 JDGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-] 40658929 LMNPYLIDQUWINR-UHFFFAOYSA-N 453.375 1.131 50 10 JDGE C#CCCCC(=O)NNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1456181749 UPXSVADEDZMOQK-UHFFFAOYSA-N 457.962 1.991 50 10 JDGE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962484 UKRXYOOQXFZMKY-ZWKOTPCHSA-N 464.526 1.775 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ncc(B(O)O)cc2Cl)C1 2267048934 OUNZACOCEKEDRA-UHFFFAOYSA-N 475.738 1.039 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(B(O)O)cs2)CCN(Cc2ccccc2)CC1 2268635805 WACCCWZZTRVKLL-UHFFFAOYSA-N 473.404 1.604 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1B(O)O 2282737751 KUCMUGGLALJNAW-LJQANCHMSA-N 452.363 1.124 50 10 JDGE N#CC(=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1 2314435461 KODPLLIQCUNSAY-GOSISDBHSA-N 465.510 1.240 50 10 JDGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 14660613 CIFHHYBPCQWRJP-UHFFFAOYSA-N 458.540 1.444 50 10 JDGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c([N+](=O)[O-])cc1O 58992179 AWIZAPBFXXZUAH-DNTJNYDQSA-N 488.442 1.432 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 206608413 KSGXSZLICNOVMF-FPLPWBNLSA-N 460.468 1.970 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc(OC)c1OC 252601692 FBKXIZLSKRYQAO-UHFFFAOYSA-N 499.532 1.398 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H](Br)C1 703964012 GRAHWHGRNPAFRZ-CYBMUJFWSA-N 459.362 1.734 50 10 JDGE Cc1sc2ncn(CCC(=O)NNC(=O)C3CCN(c4ncccn4)CC3)c(=O)c2c1C 728848098 UYMKGCUMMGMYLG-UHFFFAOYSA-N 455.544 1.319 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(C)nc3ccccc23)c1 1296849174 AVTKSGYXCAPPIV-UHFFFAOYSA-N 454.508 1.875 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)cnc2s1 1865845147 LICSLKOKCBOHSP-GOSISDBHSA-N 481.534 1.489 50 10 JDGE OB(O)c1c(I)ccc(OC(F)(F)F)c1I 2060036397 GNHICMVBNFAGFH-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)c1ccc(F)cc1Br 2096621073 KVWIFQARLXOIFV-MRVPVSSYSA-N 466.066 1.843 50 10 JDGE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106304940 KHEFPGPYTBTPTJ-UONOGXRCSA-N 456.403 1.705 50 10 JDGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)sc1B(O)O 2247942267 RXKDSWCZHALCHB-UHFFFAOYSA-N 466.390 1.547 50 10 JDGE CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 254818889 QYTIXYKDDMFKIO-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866804750 WOVHCVBHDPVBOX-KRWDZBQOSA-N 493.563 1.557 50 10 JDGE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1c(Cl)cccc1B(O)O 2282732960 NYLAFUXHJXVHMB-IAGOWNOFSA-N 452.725 1.098 50 10 JDGE CCCOc1c(Cl)cc(/C=N/NC(=O)[C@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc1OCC 169890799 GXTQBHKBHKCQIQ-YPZZKDGISA-N 455.924 1.930 50 10 JDGE NNC(=O)c1ccc(F)c(Cn2cnc(I)c2I)c1 388851980 ZEGJTDXDDIOBLH-UHFFFAOYSA-N 486.026 1.883 50 10 JDGE COc1c(F)cc(CC(=O)NNC(=O)c2ccc(Br)cc2Cl)cc1S(N)(=O)=O 728870147 TYTUJMXNGVXEIW-UHFFFAOYSA-N 494.726 1.901 50 10 JDGE C=CCn1cc(CNC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)nn1 1230271915 NALUIDXQJIPTSI-UHFFFAOYSA-N 458.482 1.367 50 10 JDGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@@H]3CCCO3)c2C)CC1 1292889824 MIVQIWAZSQWGOP-DWFNGTSHSA-N 451.571 1.475 50 10 JDGE CC=Cc1ccc(OCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 2040445051 YMWMQIQXAQVAPK-UHFFFAOYSA-N 461.540 1.884 50 10 JDGE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2106301264 HLZBQPLTOOPAAN-AWEZNQCLSA-N 455.419 1.231 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B(O)O)c2)CCN(Cc2ccccc2)CC1 2124540189 DWZRBCFHTLOGPN-UHFFFAOYSA-N 453.348 1.864 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]2COC[C@H]21 2132566110 BYHCPJNUZGUFCN-ZIAGYGMSSA-N 454.387 1.411 50 10 JDGE COc1ccc(B(O)O)cc1S(=O)(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 2267624709 CSJKTDMMLYLWBM-UHFFFAOYSA-N 468.384 1.746 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(B(O)O)c(F)c1 2268643522 KSEVICYUJXAARP-SFHVURJKSA-N 460.267 1.471 50 10 JDGE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)ccc1B(O)O 2273790953 HYEQDMKMKNBCKO-UWJYYQICSA-N 456.348 1.790 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(Cl)cc2B(O)O)C1 2282300958 LXUMEPJPQSDAER-IBGZPJMESA-N 487.793 1.871 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cccc(B(O)O)c2F)C1 2287638574 DWGHDYACAURPEY-UHFFFAOYSA-N 481.330 1.092 50 10 JDGE C[C@H](C(=O)NNS(=O)(=O)c1ccc2nc(O)oc2c1)n1cnc2sc3c(c2c1=O)CCCC3 1860770805 XMQAVXRIHLXBIT-SNVBAGLBSA-N 489.535 1.754 50 10 JDGE C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)cc2C1=O 1873777396 HUTTUZWDFIIZAP-HIFRSBDPSA-N 465.466 1.146 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCO[C@@H](CCBr)C1 2005061265 SMHPUTNRJIIZRQ-AWEZNQCLSA-N 459.362 1.878 50 10 JDGE CN(C)[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2029427436 YFHJWTUYJXOUPG-SJORKVTESA-N 472.405 1.792 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1C[C@@H](CBr)CO1 2046023798 VRNBWVXTEPAZNL-JCGVRSQUSA-N 477.352 1.730 50 10 JDGE NC(=O)C1(NS(=O)(=O)N2CCC(Br)CC2)CCN(Cc2ccccc2)CC1 2162213275 ZMPUMQXZYCYHPH-UHFFFAOYSA-N 459.410 1.200 50 10 JDGE CC(C)(C)OC(=O)N1CC(c2nc(NS(=O)(=O)N3CCC(Br)CC3)n[nH]2)C1 2184130462 FGJXWUSAZDBEBS-UHFFFAOYSA-N 465.374 1.655 50 10 JDGE C[C@@H](NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256682156 VMOZXDPXDUTKCN-GDBMZVCRSA-N 463.365 1.500 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OC)c1OC 12502271 BZBZXKZAPBPVMY-UHFFFAOYSA-N 479.427 1.478 50 10 JDGE COc1ccc(C(=O)NCC(=O)NN/C=C2\C=CC(=O)C(I)=C2)cc1OC 136172843 MRZQFYQEFRETRW-PKNBQFBNSA-N 483.262 1.396 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccc(F)cc1)C=2C(=O)Nc1cccc(C)c1 254486886 JQCVVQCRHXKLMN-HXUWFJFHSA-N 490.516 1.549 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(CBr)CCOC1 704003351 OFKZWCJXPHHKHZ-GOSISDBHSA-N 459.362 1.782 50 10 JDGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Br)c(=O)n(C)c2)cc1 1668018158 FMHLFGPJTHOXQN-LLVKDONJSA-N 451.277 1.971 50 10 JDGE C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)NNC(=O)CN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860771687 DKLMVOAEAYVXCM-QWHCGFSZSA-N 493.545 1.587 50 10 JDGE CN(C)C[C@@H]1C[C@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2122389559 FCIOMEVEWGCLKK-NJSLBKSFSA-N 490.395 1.740 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H](NS(=O)(=O)CI)CO2)C1 2210517882 ZDBCOEPFLJMIIT-FZMZJTMJSA-N 460.334 1.857 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)NCCc1c(F)cccc1B(O)O 2273938349 ZATWDOOTVPKPPJ-HXUWFJFHSA-N 460.311 1.274 50 10 JDGE COc1ccc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278707501 NVKAKKQXGXGLMI-IBGZPJMESA-N 458.320 1.101 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(B(O)O)cc2F)C1 2281705042 HGUPSOWFNYFNNR-LJQANCHMSA-N 471.338 1.357 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(B(O)O)c(Cl)c2)C1 2287639507 LLPZZZHPQWQEQY-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE CCN(C(=NP(=O)(N1CCOCC1)N1CCOCC1)N1CCOCC1)c1ccc(OC)cc1 2296822973 LVXSWNVOSJJFHV-UHFFFAOYSA-N 481.534 1.982 50 10 JDGE C[C@H](C(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772417 YCFZRAHNQVPIKS-CYBMUJFWSA-N 488.591 1.904 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCCCN3CCCC3)C2)C1 1872960564 DWIKLWJDHVEUSD-WOJBJXKFSA-N 456.591 1.488 50 10 JDGE CC1(C)CC(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)CC(C)(C)N1 1872962159 QMYMMNOJHIAFHX-MSOLQXFVSA-N 470.618 1.921 50 10 JDGE C[C@@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B(O)O 2283985447 IYPOEGBWBGYSAJ-WAIKUNEKSA-N 489.403 1.844 50 10 JDGE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCOCCI 2306799478 NVKMNYOPMPGVLB-CYBMUJFWSA-N 456.321 1.922 50 10 JDGE COCCN(C=C(C#N)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 2325045440 WFGBIHSGFJVKRS-MAUKXSAKSA-N 451.545 1.424 50 10 JDGE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3cc(=O)c4ccccc4o3)cc2)C[C@@H](C)O1 27528274 NURKWLOTXJQIEC-GASCZTMLSA-N 485.518 1.666 50 10 JDGE C=CC[C@H](Cc1ccccc1)NC(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1564912962 DUYNUDNDBAZUNW-LJQANCHMSA-N 458.588 1.831 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2243434287 WRJGSVCLKOVVRR-UHFFFAOYSA-N 486.380 1.553 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2cccc(B(O)O)c21)Cc1ccccc1 2268675646 BYXOSYSNHTXSOF-UHFFFAOYSA-N 453.348 1.282 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2ccc(B(O)O)cc2C1)Cc1ccccc1 2284017344 LWTSOYUKFMGMII-UHFFFAOYSA-N 467.375 1.278 50 10 JDGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@@H]2CCCO2)CC1 2297462318 XWDRUCBKYJIGRS-IBGZPJMESA-N 450.543 1.347 50 10 JDGE CC(C)(C)OC(=O)N1CC(OCCCNS(=O)(=O)N2CCC(Br)CC2)C1 2337145040 HMCFHIJEIZQINP-UHFFFAOYSA-N 456.403 1.706 50 10 JDGE CC(=NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc([N+](=O)[O-])c1 254484896 RNUWBHCTFRXGBA-UHFFFAOYSA-N 459.528 1.750 50 10 JDGE CCN(CC)C(=O)COc1ccc(C=NNC(=O)CSc2nnc(N)s2)cc1OC 256028266 BTCDOISOZMGBLZ-UHFFFAOYSA-N 452.562 1.619 50 10 JDGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCCN2CCCS2(=O)=O)c(-c2ccccc2)n1 725758821 JUNOSFXZWPOMPY-XDJHFCHBSA-N 452.540 1.913 50 10 JDGE CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)N2CCNCC2)cc1 767330137 SNQDUKOZMDCUSR-UHFFFAOYSA-N 468.377 1.536 50 10 JDGE COCCCNC(=O)CC(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2OC)cc1 1084139555 CAZXRMOZOKKLTG-UHFFFAOYSA-N 456.499 1.706 50 10 JDGE C[C@H](CNS(=O)(=O)N1CCC(Br)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238411811 KQLVFDVJBXTLRE-CXAGYDPISA-N 470.430 1.688 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1cc(B(O)O)ccc1Cl)Cc1ccccc1 2256638380 FZMFNTBBHNXATN-UHFFFAOYSA-N 461.755 1.985 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OCC[C@]2(CBr)C1 2264256433 RJZKXRANINWAMJ-LPHOPBHVSA-N 471.373 1.878 50 10 JDGE C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 18054847 VKYJTDQYZVQLEN-AWEZNQCLSA-N 464.457 1.795 50 10 JDGE CN([C@H]1COC[C@@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 709085191 JCOZOCFFMVOXFH-GJZGRUSLSA-N 459.362 1.733 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 1942272150 ADMMEIAOTHCKOP-JKSUJKDBSA-N 458.378 1.402 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2scc(B(O)O)c2Cl)CCN1C(=O)OC(C)(C)C 2255527372 KLLMUZNFGSWBKG-UHFFFAOYSA-N 489.787 1.926 50 10 JDGE Cc1ccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(B(O)O)c1 2268711519 MKNRNDJGRIYRHK-XMMPIXPASA-N 453.348 1.783 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cc(B(O)O)ccc2F)CCN(Cc2ccccc2)C1 2283950948 QULCQLSEVGSLMB-XMMPIXPASA-N 471.338 1.291 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)O)c2)c1 216956836 XWBNXGRMCYYYMB-QBFSEMIESA-N 459.436 1.965 50 10 JDGE CN(C)[S@](=O)(=NCCOCCI)N1CCN(C(=O)OC(C)(C)C)CC1 2326655389 XJDQRIZRMXDKLJ-RUZDIDTESA-N 490.408 1.850 50 10 JDGE Cn1nc(Br)c(Br)c1C(=O)N1CCN(CCBr)C(=O)C1 2364025436 XXNTULLCNRWKLZ-UHFFFAOYSA-N 472.963 1.624 50 10 JDGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccccc1Br 13630197 DLGSHVVBLYYCMM-NSHDSACASA-N 465.329 1.726 50 10 JDGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c2ccccc21 22698901 KMEMWYIHQMZTQH-MRXNPFEDSA-N 456.524 1.710 50 10 JDGE COc1cccc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)c1OCc1cccc(C)c1 169892121 HQZWMZUYNKQPSF-LSHDLFTRSA-N 455.496 1.597 50 10 JDGE CC(=O)Nc1ccc(NC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 216940386 VNYRTLVCOOGPNE-VLGSPTGOSA-N 453.524 1.997 50 10 JDGE O=C(NN=Cc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 254304310 XTRGPMNCVYAZBY-ICSRJNTNSA-N 473.942 1.800 50 10 JDGE O=C(NN=C1C[C@@H](N2C(=O)c3ccccc3C2=O)[C@H]2CO[C@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254397594 FJURCDYCERCTFV-LZJOCLMNSA-N 481.377 1.399 50 10 JDGE CCOC(=O)c1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1873777745 QSYBMGKHPCRCNI-RTBURBONSA-N 479.537 1.993 50 10 JDGE Cc1ccc(B(O)O)cc1S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2255754991 IYKIMFDZLQJKTM-UHFFFAOYSA-N 462.377 1.781 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)cc1 2268654462 ZSLDVLQDOBYZNX-DYESRHJHSA-N 456.348 1.823 50 10 JDGE CN1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@@H](CBr)C1 703967216 ONQRJQJJOVSONC-AWEZNQCLSA-N 472.405 1.650 50 10 JDGE CC(=O)c1cccc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1354836592 QSBMNOZHKSJTCC-UHFFFAOYSA-N 459.524 1.304 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)CCCNC(=O)C(C)(C)C)c1cccc(Br)c1 1461587415 CSSKPTOWDPNVPJ-INIZCTEOSA-N 455.353 1.716 50 10 JDGE O=S1(=O)C[C@@H]2CN(S(=O)(=O)c3cc(CBr)sc3Br)C[C@H]21 2361659861 WOUACOJTNFHOLO-IMTBSYHQSA-N 465.210 1.823 50 10 JDGE CCN1C(=O)C(=NNC(=O)CCC(=O)NN=C2C(=O)N(CC)c3ccccc32)c2ccccc21 245285445 XKQJLVBDKDVIFK-UHFFFAOYSA-N 460.494 1.541 50 10 JDGE NS(=O)(=O)c1ccc(CCNN(CCNC=S)C(=O)c2ccc(F)c(F)c2F)cc1 586404484 JUYRWYBINJWRBS-UHFFFAOYSA-N 460.503 1.488 50 10 JDGE Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)cc(I)cc1B(O)O 1887521175 JYHHAQRSHQWEMZ-UHFFFAOYSA-N 460.121 1.332 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCN(CCOCCBr)CC1 1921066497 JUTUFKLDCPBNBJ-UHFFFAOYSA-N 488.404 1.032 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(B(O)O)s2)CCN(Cc2ccccc2)CC1 2268713196 VWUCSENTWMRSOR-UHFFFAOYSA-N 473.404 1.604 50 10 JDGE COc1cc(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2289464945 IRHGHZWWUPUSHD-IBGZPJMESA-N 472.347 1.491 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2cc(B(O)O)c(F)cn2)CC1 2343940981 VUIVGDPVWVCCHM-UHFFFAOYSA-N 468.335 1.195 50 10 JDGE O=C(COc1ccccc1)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccccc2)CC1 100103666 NNHTVOMBRKWWOA-UHFFFAOYSA-N 468.510 1.246 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1c(C)nn(CCO)c1C 1084569502 AHSKWGAHCOSSHR-UHFFFAOYSA-N 494.585 1.305 50 10 JDGE C=C(CC)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 1623952863 FCGSZSFSRCEBJW-UHFFFAOYSA-N 452.515 1.178 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)C1 1872962888 YAXIWQUMCOBTTO-JKSUJKDBSA-N 452.471 1.725 50 10 JDGE COCC1(CNS(=O)(=O)CI)CCN(C(=O)OC(C)(C)C)CC1 1983327072 IFCOBWQDRINROE-UHFFFAOYSA-N 462.350 1.962 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cccc(B(O)O)c1)OCc1ccccc1 2247841547 JNMKRNQYOQRXQN-UHFFFAOYSA-N 450.322 1.014 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B(O)O)c1 2268633833 UVUXCUJRLPTGRB-OAQYLSRUSA-N 455.364 1.350 50 10 JDGE Cc1cc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc(B(O)O)c1 2268716955 HWLIQESCXYOCSZ-DEOSSOPVSA-N 453.348 1.783 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCCc2c(B(O)O)cccc21 2268720628 YOBVSYRTELYZKD-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(F)c(B(O)O)c2)C1 2287637739 DWRSSIXKGXUFRV-UHFFFAOYSA-N 481.330 1.092 50 10 JDGE N#CC(=Cc1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296848694 VCCPJYKYKXGGMX-QGZVFWFLSA-N 455.540 1.285 50 10 JDGE COc1ccc([C@H](C)NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC 2325045371 HEZFBCVOJKGOHH-QFBILLFUSA-N 464.588 1.339 50 10 JDGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-] 40623223 FXLXSCCSBZLJCX-UHFFFAOYSA-N 460.451 1.113 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@@H]1C[C@@H](Br)CCO1 1948600563 BLQXNJNRPVEODU-KBPBESRZSA-N 459.362 1.925 50 10 JDGE C[C@@H](CBr)N1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2003504938 UVRCNXRDPFGELH-AWEZNQCLSA-N 458.378 1.404 50 10 JDGE O=C(OCc1ccccc1)N1CC[C@H](NS(=O)(=O)c2c(Cl)cc(B(O)O)cc2Cl)C1 2282374253 YVSQKFYLAQFCOI-AWEZNQCLSA-N 473.143 1.363 50 10 JDGE COc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1B(O)O 2296193471 YSESGANGZFYRIL-IIBYNOLFSA-N 472.347 1.490 50 10 JDGE N#CC1=C(N)n2c(sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)=C(C#N)[C@@H]1c1ccc([N+](=O)[O-])cc1 254499807 PDJPRLYVVSNLDI-LJQANCHMSA-N 472.442 1.678 50 10 JDGE COC[C@@](C)(CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046031152 CWXOXXVUDRCNSW-ROUUACIJSA-N 479.368 1.978 50 10 JDGE O=C(NCCNS(=O)(=O)Cc1ccc(B(O)O)cc1)OCC1c2ccccc2-c2ccccc21 2247884057 NZVLNOWSSQRKHL-UHFFFAOYSA-N 480.351 1.325 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 2281746279 YWJNZMMPHKKZSZ-LJQANCHMSA-N 471.338 1.357 50 10 JDGE C[C@@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1ccc(B(O)O)cc1 2284137635 QROPYVCYWFLMDI-GOSISDBHSA-N 468.359 1.998 50 10 JDGE C=CC(C)(C)CC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1182183272 JFTGLJRMRWYUGY-MRXNPFEDSA-N 453.561 1.702 50 10 JDGE CCOC(=O)c1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1873777743 QSYBMGKHPCRCNI-OALUTQOASA-N 479.537 1.993 50 10 JDGE C[C@H](CBr)N1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2050234502 VWGZTWIQIJAYBO-OAHLLOKOSA-N 472.405 1.794 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H]2COC[C@H]21 2132566108 BYHCPJNUZGUFCN-KGLIPLIRSA-N 454.387 1.411 50 10 JDGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@@H]2COC[C@@H]21 2162598897 CRRVWUMVBHNCSG-SNPRPXQTSA-N 468.414 1.705 50 10 JDGE O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1c(F)cccc1B(O)O 2251396413 VNFDBNHEKHTBGY-UHFFFAOYSA-N 462.286 1.703 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@@H](CBr)O2)C1 2336882960 UCFYHVDKGWAEQI-SCLBCKFNSA-N 489.363 1.969 50 10 JDGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)cc1OC 254558206 KJMYWSKUZIKJLY-UHFFFAOYSA-N 478.469 1.983 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)CCN1C[C@H](C)O[C@H](C)C1)c1cccc(Br)c1 1638063750 ZZLICXVTBHELCU-JCGVRSQUSA-N 455.353 1.273 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256679505 XHRKKZFQXIMEQO-GOSISDBHSA-N 462.377 1.887 50 10 JDGE C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2268630260 IHFSINSZFXKENZ-KDOFPFPSSA-N 476.360 1.632 50 10 JDGE CN(CCN(C)S(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl)C(=O)OCc1ccccc1 2282360101 XQYXGSRFPZBBID-UHFFFAOYSA-N 475.159 1.562 50 10 JDGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40658109 QOTBNUBORRCKRM-UHFFFAOYSA-N 468.386 1.815 50 10 JDGE COc1ccc(C)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 725434596 DDXIABRDZIYFKN-IBGZPJMESA-N 468.510 1.766 50 10 JDGE COC[C@@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675576 DYNCOUXVDRYVQC-BDJLRTHQSA-N 451.314 1.340 50 10 JDGE O=C(Cl)C=CC(=O)Nc1c(I)ncnc1I 1991654744 NZGDFZSFPHMNFR-UHFFFAOYSA-N 463.400 1.946 50 10 JDGE O=C(NCCNS(=O)(=O)c1ccc(B(O)O)c(F)c1)OCC1c2ccccc2-c2ccccc21 2247942750 ZRMZEKSJVCWSPS-UHFFFAOYSA-N 484.314 1.323 50 10 JDGE O=C(N[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1)OCc1ccccc1 2278569117 ZJKOTZQGFNTYNT-ZDUSSCGKSA-N 458.754 1.161 50 10 JDGE C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cccc(B(O)O)c1 2284058244 JWGSPZUHNNPMNJ-CJAUYULYSA-N 467.375 1.713 50 10 JDGE CN(CCC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O 706392801 BNEJEQTUUUGJDJ-SNVBAGLBSA-N 455.234 1.479 50 10 JDGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860770154 VQWYNMXPGRJVQL-LLVKDONJSA-N 471.495 1.961 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC[C@H](C(F)(F)CBr)C1 1991994968 XCEHZBNIKWDYEA-NSHDSACASA-N 451.289 1.965 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCN(CCCBr)CC1 2050666904 MJYODLBBZBESKE-UHFFFAOYSA-N 472.405 1.795 50 10 JDGE O=S1(=O)CC[C@@H](C(CBr)(CBr)C[C@@H]2CCS(=O)(=O)N2)C1 2146191176 JAYNMMNDPXISIG-ZJUUUORDSA-N 453.218 1.279 50 10 JDGE O=C(OCc1ccccc1)N1CC(F)(F)C[C@@H]1COc1ncc(Br)cc1B(O)O 2231650428 KSQZWBSQYGUMBA-CQSZACIVSA-N 471.063 1.949 50 10 JDGE CC(C)(C)OC(=O)N1CC[S@](=O)(=Nc2ncc(Br)cc2B(O)O)C(C)(C)C1 2240339120 LBMVPTPQUTYPHT-HHHXNRCGSA-N 462.175 1.653 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2csc(B(O)O)c2)CC1 2266872307 KRJAHNSXCYBDTM-UHFFFAOYSA-N 483.396 1.358 50 10 JDGE CN(C[C@@]1(O)CCCN(S(=O)(=O)N2CCC(Br)CC2)C1)C(=O)OC(C)(C)C 2286323183 CSWNNUAFUYHCGM-KRWDZBQOSA-N 470.430 1.784 50 10 JDGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCCN2CCCS2(=O)=O)c(-c2ccccc2)n1 725758820 JUNOSFXZWPOMPY-CYVLTUHYSA-N 452.540 1.913 50 10 JDGE O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1nn(-c2ccccc2)cc1O 749260550 HMOVQADHXYUTLF-CQSZACIVSA-N 461.525 1.254 50 10 JDGE CC(=O)c1nc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)sc1C 1466607058 SBWBLJPYIDPFME-UHFFFAOYSA-N 451.530 1.905 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1858082253 RVZOPSIYPVCNMO-UHFFFAOYSA-N 495.602 1.768 50 10 JDGE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2106771262 GVYOCFAVYOWDSG-CQSZACIVSA-N 456.403 1.658 50 10 JDGE CC(C)(C)OC(=O)NCC1(O)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2106777816 XDUAVKYMJSWJLK-UHFFFAOYSA-N 456.403 1.442 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H](CBr)[C@H]1OC 2225079564 CQLSFQBQSMJRTH-BRWVUGGUSA-N 489.388 1.502 50 10 JDGE Cc1sc(B(O)O)cc1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2255585738 JLTDQMASNGUKJY-UHFFFAOYSA-N 450.369 1.938 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)NCc1ccc(B(O)O)cc1F)Cc1ccccc1 2269695865 ZYDXKHIBSSYDSE-UHFFFAOYSA-N 459.327 1.149 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1 14645327 URBIDPDBIJSOIP-UHFFFAOYSA-N 459.524 1.871 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc(OC)c1OC 254514256 SGNIYUAXWWJKLL-UHFFFAOYSA-N 470.471 1.751 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3ccccc3O)CC2)cc1 1630636407 GPRCIIUVGBPEEX-UHFFFAOYSA-N 459.524 1.386 50 10 JDGE O=C(NC[C@H](Nc1ncc(Br)cc1B(O)O)C(F)(F)F)OCc1ccccc1 2223668758 ASCPVXXEBFTGDD-ZDUSSCGKSA-N 462.031 1.793 50 10 JDGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1B(O)O 2255758645 NKAOQWIHSNCIAT-UHFFFAOYSA-N 456.348 1.876 50 10 JDGE Cc1cc(B(O)O)ccc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2282140397 UCUUGUVOZOAJGL-NRFANRHFSA-N 467.375 1.526 50 10 JDGE Cc1cc(F)c(B(O)O)cc1C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2285968110 CSMJTEVWEWVOBK-UHFFFAOYSA-N 483.346 1.306 50 10 JDGE COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 41015684 MGERWPWNHNUKBF-SFQUDFHCSA-N 475.457 1.663 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc(F)cc1 254443615 IBINCJSBBAOTFU-UHFFFAOYSA-N 450.390 1.921 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N(C)CCN2CCCC2)cc1 728550726 DBFWWPLYVOJNHZ-CYVLTUHYSA-N 450.543 1.895 50 10 JDGE C=CCNC(=S)NNC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 1624253386 KUFQQJPVLDZUKI-GXDHUFHOSA-N 457.947 1.667 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc5nc(O)oc5c4)c(=O)c23)C1 1860770808 XNPAXKMXKDRCKK-SNVBAGLBSA-N 489.535 1.439 50 10 JDGE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC(Br)CC2)C1 2162495055 QHFCRNLEMOFAGY-CQSZACIVSA-N 468.414 1.980 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Br)c1Br 2177842117 AIWDNJDAPVKABM-HTQZYQBOSA-N 467.226 1.966 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2cscc2B(O)O)CCN(Cc2ccccc2)CC1 2266856400 RCKXQESGJCTDTL-UHFFFAOYSA-N 473.404 1.717 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B(O)O 2268631670 AZGHOGIVIRYVAU-OAQYLSRUSA-N 455.364 1.350 50 10 JDGE C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1ccc(B(O)O)cc1 2284055438 TVQIUQKMBOPYFF-AVRWGWEMSA-N 467.375 1.713 50 10 JDGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])CC1 40658472 VOESQWAVYGPNQR-UHFFFAOYSA-N 460.407 1.328 50 10 JDGE O=C1OC(=O)[C@@H]2CCN(S(=O)(=O)c3cc(Br)sc3Br)C[C@@H]12 159413788 QGBUJBYTBLJNKA-PHDIDXHHSA-N 459.137 1.983 50 10 JDGE COCc1cc(C)n(CC(=O)NN=Cc2cc3c(cc2Br)OCO3)c(=O)c1C#N 254383475 IJZBQFQTLCFGLJ-UHFFFAOYSA-N 461.272 1.816 50 10 JDGE C#CCNC(=O)CN1CCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccc(Cl)cc2)CC1 728534215 GCTLLWGUXKHAET-HKWRFOASSA-N 489.967 1.918 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cc(F)c(F)c(F)c3)cc2)CC1 1545927648 BEGNTEXLNJJZMU-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCOC[C@@H](Br)C1 1942089331 PVNBWWDSHVGRJU-AWEZNQCLSA-N 459.362 1.878 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1COC[C@@H]1Br 2000540780 QIALQQHUARWIDM-WHCBVINPSA-N 463.325 1.340 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cccc(Cl)c1B(O)O 2267907980 HZTFTLBTXXYNPF-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c2C1 2283987899 OJSRGHZKYXWQQS-QFIPXVFZSA-N 467.375 1.276 50 10 JDGE COc1cc(/C=C2/C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc(OC)c1OC 101341713 GNQOWAAREHAXJR-LICLKQGHSA-N 458.467 1.884 50 10 JDGE Cn1cnnc1SCc1c(C(=O)NN=Cc2cccc3ccccc23)nnn1-c1nonc1N 254412742 YZPYMYORKIIKRQ-UHFFFAOYSA-N 475.498 1.570 50 10 JDGE CC(C)[C@@H](CI)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703969236 HXXNAZJMJRJLCB-CYBMUJFWSA-N 450.298 1.662 50 10 JDGE CCN1CC[C@@H](CNC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)C1 730936046 HRPVLSNKAPRWIE-LSPINASFSA-N 450.543 1.799 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2cccc(B(O)O)c2C1)Cc1ccccc1 2284017667 NNGPBWVYZVHGAU-UHFFFAOYSA-N 467.375 1.278 50 10 JDGE N#CC(=CNCCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325281952 LOTNGJIKXNPZFT-UHFFFAOYSA-N 457.531 1.361 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 1644838448 YFAQQYWJGYHGAB-KRWDZBQOSA-N 459.572 1.891 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(=O)c2c1C 1865851734 HPHCRTHJNVHOHS-SFHVURJKSA-N 481.534 1.543 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC12CC(CBr)(CO1)C2 1997261623 NVPGTRAUIOFZLA-UHFFFAOYSA-N 457.346 1.536 50 10 JDGE COC(=O)[C@H](Br)CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106588271 VRFBEWCRXFVZHW-MZHQLVBMSA-N 457.391 1.335 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(Br)cc2B(O)O)C(F)(F)CC1 2240333751 NLXGLFODMGBMCB-GFCCVEGCSA-N 450.089 1.971 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2268639560 QJRIJFOKXJVZNP-INIZCTEOSA-N 476.360 1.379 50 10 JDGE C[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268649547 JNHISGNLVJNFMU-DYESRHJHSA-N 455.364 1.569 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OC[C@@H](CCl)O[C@@H]2C1 2279895639 PYSFQOPYEZXKGZ-FHLIZLRMSA-N 456.948 1.490 50 10 JDGE COc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc(OC)c1OCc1ccccc1 169892440 OEIJNWRASVIYSU-FSJBWODESA-N 453.455 1.137 50 10 JDGE COc1ccc(OC)c(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 254490739 FVWWXYCPIITHTM-UHFFFAOYSA-N 456.455 1.934 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)Cc2ccccc2O)cc1 1642449316 YAJCBXVVBJNEII-LJQANCHMSA-N 459.524 1.528 50 10 JDGE CCOC[C@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540976 HMVBOLUSWARBPF-SJKOYZFVSA-N 465.341 1.730 50 10 JDGE C[C@@H](CC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 2060423379 RMIBUUKTGZESML-HNNXBMFYSA-N 485.584 1.747 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N2CCN(S(=O)(=O)CI)CC2)C1 2213737908 LAGZBKRHYXJLGO-OLZOCXBDSA-N 473.377 1.772 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2COC[C@@]2(CBr)C1 2226181591 JFKUAGQMBMBSQI-ZNZDAUKMSA-N 489.363 1.684 50 10 JDGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNc1ncc(Br)cc1B(O)O 2240342240 KLHXPNPSKLNGPE-LLVKDONJSA-N 450.089 1.971 50 10 JDGE COc1ccc(B(O)O)cc1S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2255755570 RRXSMTYYZJWCBS-UHFFFAOYSA-N 464.349 1.091 50 10 JDGE CCc1nc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B(O)O)s1 2267445121 ZFRYGSUZVQIBDC-UHFFFAOYSA-N 475.376 1.010 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2c(cccc2B(O)O)C1 2268713436 XUOHTRPCKIKZOU-NRFANRHFSA-N 454.332 1.361 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2ccc(B(O)O)cc2C1 2268716727 PIKVOSBDGXUNJI-OAQYLSRUSA-N 454.332 1.361 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCCN(CCCBr)CC1 2318372922 RNPAGRGGCMXXKP-UHFFFAOYSA-N 472.405 1.795 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B(O)O)c2C1 2336495835 AKARXTWINVOCKO-FOIQADDNSA-N 474.388 1.811 50 10 JDGE Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N/N=C\c2ccc(Cl)cc2Cl)cc1 32923356 MUEQHWIEJRRDOP-AFPJDJCSSA-N 457.339 1.847 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1 729448913 GKAURURBDTYBQR-LDQQFAMPSA-N 480.569 1.566 50 10 JDGE CO[C@@H]1C[C@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2067189280 PVICLCXGHUSFKJ-XKLVTHTNSA-N 477.352 1.871 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(CCCBr)CC1 2113612378 IQUYYSFYLFZTGP-LJQANCHMSA-N 490.395 1.743 50 10 JDGE CC(C)(C)OC(=O)N1CC(N([C@@H]2CCOC2)S(=O)(=O)N2CCC(Br)CC2)C1 2163054769 AHYUFWFMESZRBJ-CQSZACIVSA-N 468.414 1.801 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](NS(=O)(=O)CCC(CCl)CCl)C1 2192675039 CQJVMFWQVDKYDV-OLZOCXBDSA-N 467.437 1.422 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)c(OC)c1OC 254703969 ZWHKYYLYLSYYJT-UHFFFAOYSA-N 464.442 1.689 50 10 JDGE CSCC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)C(=O)NNC(=O)NC(C)C 745139275 AYBXNRCXAUSUOS-HNNXBMFYSA-N 494.039 1.181 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc(F)cc4)c(=O)c23)C1 1860770465 JOJKLFUSKYOWTI-LLVKDONJSA-N 450.517 1.732 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(OCCBr)C1 1946924361 XTDALLSJSLBLEM-UHFFFAOYSA-N 459.362 1.734 50 10 JDGE Cn1ncc(C(=O)NC[C@H](Br)CBr)c1I 1961825774 YYMPEHMFPUEKDC-RXMQYKEDSA-N 450.900 1.913 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2251275834 MSOGEEQFPVHGDR-WOSRLPQWSA-N 457.346 1.487 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c21 2268635156 OHOFPIQQVHMBMM-OXJNMPFZSA-N 454.332 1.754 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc2C1 2283955253 DHCQRTZDNYAHDV-HTAPYJJXSA-N 468.359 1.750 50 10 JDGE COC(=O)[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2303526181 RGRMORVZXKGIRU-CQSZACIVSA-N 461.334 1.309 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 10450753 JGJNOWPDKCJQGE-IZZDOVSWSA-N 472.479 1.886 50 10 JDGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 40658415 BHLADYVKILFGOW-UHFFFAOYSA-N 468.386 1.815 50 10 JDGE Nc1c(NCCCN2CCOCC2)ncnc1NNC(=O)c1ccccc1Br 40756666 GGEMLUBAZKZNNR-UHFFFAOYSA-N 450.341 1.712 50 10 JDGE COc1cc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)ccc1O 254292101 HVAHFPMFGKWZKY-UHFFFAOYSA-N 477.485 1.737 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CCC3CCCCC3)cc2)CC1 727347387 KPWYUFZSTFNDMC-UHFFFAOYSA-N 464.588 1.661 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)CC2)cc1 748284135 KROPTWIWUSSGQM-OAQYLSRUSA-N 471.535 1.441 50 10 JDGE C=CCNC(=O)c1ccc(NC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 1214815533 SQNPHFXGZKRHPV-UHFFFAOYSA-N 459.528 1.384 50 10 JDGE CC(C)C(=O)Nc1nc(O)c2ncn([C@H]3O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]3O)c2n1 1857788271 RUKACXRBRJHKDV-CQEJWKIFSA-N 467.599 1.767 50 10 JDGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866885075 DGIIWAGRCQCGTA-MRXNPFEDSA-N 453.929 1.803 50 10 JDGE CN(C)C[C@@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942099281 TXKMFNTVWHDTES-AWEZNQCLSA-N 460.394 1.697 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H](CBr)C1 2036932948 NAMKRQOEPQRWEN-CQSZACIVSA-N 473.389 1.982 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2OCCC[C@@]2(CBr)C1 2222903996 CNPNICVGAWHFCV-QFBILLFUSA-N 471.373 1.878 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B(O)O)c2C1 2336495836 AKARXTWINVOCKO-MGPUTAFESA-N 474.388 1.811 50 10 JDGE COC(=O)[C@@H](I)CNC(=O)c1ccccc1I 234595616 WSBKSAVLDOOMPS-VIFPVBQESA-N 459.021 1.998 50 10 JDGE COc1cccc(C=NNC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1OC 254350674 OVZLWNDXQUMBSQ-UHFFFAOYSA-N 474.539 1.368 50 10 JDGE COc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860770531 MEOAAJONUWJHHT-UHFFFAOYSA-N 478.552 1.364 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](OCCNS(=O)(=O)N2CCC(Br)CC2)C1 2109126525 UXXXTGQJLGASGY-CQSZACIVSA-N 456.403 1.706 50 10 JDGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179820190 VFSHZMCVMWBDDM-OALUTQOASA-N 458.422 1.923 50 10 JDGE Cc1sc(Br)cc1S(=O)(=O)NCCS(=O)(=O)CCBr 2335767355 JTTLDBSRZBEQIM-UHFFFAOYSA-N 455.215 1.907 50 10 JDGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 217230788 ZYAKYYRGBWJKAQ-OBEJXRGXSA-N 451.505 1.000 50 10 JDGE COC(=O)C1=c2sc(=Cc3ccccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1F 254447515 SFDWCWXTTXPWTE-GOSISDBHSA-N 451.454 1.789 50 10 JDGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)cc1[N+](=O)[O-] 263626645 QJGZNXXUNCRUQE-GFCCVEGCSA-N 498.504 1.678 50 10 JDGE O=C(COc1ccccc1Cc1ccccc1)NNC(=O)NCCCN1CCCS1(=O)=O 726277089 URBYFKCCYSKVBE-UHFFFAOYSA-N 460.556 1.412 50 10 JDGE Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccccc21 726499463 XECVJGVIGSTWPF-UHFFFAOYSA-N 458.496 1.079 50 10 JDGE COc1cc2c(cc1OC)[C@@H](CC(=O)NN=Cc1cnn3ccccc13)N(S(C)(=O)=O)CC2 729636660 MXVZPJYJSSAJJD-LJQANCHMSA-N 471.539 1.751 50 10 JDGE COc1cc(C=NNc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)c([N+](=O)[O-])cc1O 1084482014 WAEKRQDDPAVIOQ-SECBINFHSA-N 478.491 1.301 50 10 JDGE CC1(C)OC[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1Br 2022063712 PQDPJBCVTWKYMI-LSDHHAIUSA-N 459.362 1.923 50 10 JDGE O=S(=O)(NC[C@]12CN(Cc3ccccc3)C[C@@H]1CCO2)N1CCC(Br)CC1 2175203930 WUBUYWRAUNKPRG-HKUYNNGSSA-N 458.422 1.971 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCN2CCOC[C@H]2C)cc1 729385497 HMDCFBQCGYQQCS-MCRQTXEHSA-N 466.542 1.178 50 10 JDGE CCN(CC(=O)N(C)C)C(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 729425160 GCURBBJFBUILDZ-SFQUDFHCSA-N 452.515 1.278 50 10 JDGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2046027408 BLWAJAINURTMFF-SNUQEOBHSA-N 477.352 1.825 50 10 JDGE Cc1oc(B(O)O)cc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2247723584 UHHARTUPBUWOGY-UHFFFAOYSA-N 464.283 1.858 50 10 JDGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268646835 VMUWMDSTYVMYNP-LPHOPBHVSA-N 475.420 1.973 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ccc(F)cc3C)ccc2F)CC1 1631069010 PVBXJNPJIZWJMY-UHFFFAOYSA-N 452.483 1.883 50 10 JDGE Cc1nc(I)c(I)n1C[C@@H]1CCC[C@@H](C(=O)NN)O1 1879471929 ILZGUOOZMWRRCX-YUMQZZPRSA-N 490.083 1.328 50 10 JDGE CO[C@H](CCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2002978951 MZWBWIDBFMKUNH-SJKOYZFVSA-N 465.341 1.730 50 10 JDGE COC1(CCNc2ncc(Br)cc2B(O)O)CN(C(=O)OCc2ccccc2)C1 2231678369 QVIISCAFLZWRFM-UHFFFAOYSA-N 464.125 1.364 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1B(O)O 2255884750 CYSLUODSHHOONV-UHFFFAOYSA-N 462.377 1.613 50 10 JDGE Cc1[nH]c(C(=O)N/N=C/c2ccc(O)c(O)c2)c(C)c1C(=O)N/N=C/c1ccc(O)c(O)c1 15016785 ZIOKWNQNEAKXNC-WDBPGAOMSA-N 451.439 1.982 50 10 JDGE N#C/C(=C/c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 33249073 CHHYBXRHVBQENI-IRVMHKCDSA-N 450.476 1.697 50 10 JDGE Cc1nn(-c2ccccc2)c(N(C)C)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)C2CCC2)[nH]1 253567406 JZWBDLHIWZRVTD-FSJBWODESA-N 496.601 1.850 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Br)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575125178 GRDUQQNEXMJRRS-JCECYMMASA-N 498.282 1.198 50 10 JDGE C#CCOc1ccc(CNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1470253487 NTEHLPWURKDDLS-UHFFFAOYSA-N 456.524 1.627 50 10 JDGE C[C@@H](C(=O)NNC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CCCC3)N1C(=O)c2ccccc2C1=O 1860771786 IALQIZURHXANGJ-OLZOCXBDSA-N 493.545 1.730 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@@](C)(=O)C[C@H]1Cl 2057719459 KEUUKASIKGUWBU-VSOCQZJYSA-N 450.856 1.913 50 10 JDGE Cc1cc(CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2268630086 FZXVBHSVSUCMNX-KRWDZBQOSA-N 476.360 1.379 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)cc2F)C1 2268793996 PHQNPMJWQCTJIY-UHFFFAOYSA-N 458.295 1.898 50 10 JDGE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)sc1B(O)O 2281739132 WCGHEPKNGBABAI-UHFFFAOYSA-N 497.423 1.666 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(F)cc1B(O)O 2282323123 WDXHASDIGWNPST-UHFFFAOYSA-N 483.346 1.434 50 10 JDGE Cc1cc(B(O)O)ccc1S(=O)(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2282377925 YCPORGLTPBKHBL-UHFFFAOYSA-N 480.395 1.425 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCOCCI)[C@@H]2CS(=O)(=O)C[C@H]21 2306797937 ALGSYTZOIMOKCZ-CHWSQXEVSA-N 474.361 1.156 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1 14645329 SRMSMHKQVABRQV-UHFFFAOYSA-N 459.524 1.871 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2022816324 YCLCHQDGMMNWMX-HZSPNIEDSA-N 481.637 1.350 50 10 JDGE O=S1(=O)CCN(S(=O)(=O)N(Cc2ccccc2)[C@@H](CBr)C2CC2)CC1 2045266324 YIWQPWUZMVCWFB-INIZCTEOSA-N 451.408 1.637 50 10 JDGE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106780764 BKVFQYYIJFGSJX-JFGNBEQYSA-N 450.321 1.868 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCn2c(CBr)nnc2C1 2171792272 ODUZPHYAPLHMPH-UHFFFAOYSA-N 496.387 1.641 50 10 JDGE COc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1B(O)O 2296193470 YSESGANGZFYRIL-IERDGZPVSA-N 472.347 1.490 50 10 JDGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)cc2)CC1 728214919 UWXHBDZKKHQFPK-OAQYLSRUSA-N 487.582 1.497 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cnnc4ccccc34)cc2)CC1 1160800046 FAHXQFHGMHGXOT-UHFFFAOYSA-N 454.512 1.240 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)Cc2ccsc2Br)C1 2226103867 ZZRZBJIOHBFQMD-HTQZYQBOSA-N 453.199 1.491 50 10 JDGE Cc1ccc(I)c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2Br)c1 2232164607 IUJGZOXREYELEQ-KOLCDFICSA-N 458.115 1.890 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2cc(B(O)O)cs2)C1 2243392326 GRUFXCKOZVVSEC-UHFFFAOYSA-N 452.363 1.238 50 10 JDGE Cc1nc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c(B(O)O)s1 2281632758 VHLSQJXNJWUCSF-UHFFFAOYSA-N 488.419 1.421 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cc(F)c(B(O)O)cc2O)C1 2339439453 VLCNUQYEZKHCIR-UHFFFAOYSA-N 460.267 1.404 50 10 JDGE CCN1CCN(c2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])CC1 40610667 LTVBWXQUXIRBRW-UHFFFAOYSA-N 450.843 1.845 50 10 JDGE Cc1csc([C@H](C)NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 727942395 IYUUUMPTBODLJX-ZDUSSCGKSA-N 453.546 1.178 50 10 JDGE C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cc(B(O)O)cs1 2256600699 KTCBQTNMHXGXKI-MRXNPFEDSA-N 461.393 1.632 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(Cl)c(B(O)O)n2)C1 2268792836 GYOOSBDZJXVNGC-UHFFFAOYSA-N 475.738 1.807 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCCc1c(F)cccc1B(O)O 2289644195 DXSCYPWDMYBPQE-GOSISDBHSA-N 474.338 1.664 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNS(=O)(=O)c3cc(OC)ccc3OC)cnc2s1 1860770683 RPZPXXOJYIYGOD-UHFFFAOYSA-N 452.514 1.047 50 10 JDGE Cc1cc(B(O)O)ccc1C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2267238233 AKWCAZUTAYEBCT-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B(O)O)ccc21 2283986908 TYVRLDUQBLMJOP-OAQYLSRUSA-N 467.375 1.671 50 10 JDGE Cc1cc(OCC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)ccc1Br 13629380 YLGPFQZLZONDBX-CYBMUJFWSA-N 450.289 1.925 50 10 JDGE CC(=O)Oc1ccc(C(C)=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 254383496 IZLYNHFIJOYYKF-UHFFFAOYSA-N 472.567 1.767 50 10 JDGE CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1463738675 VRSOBFCYMBAFAY-MRXNPFEDSA-N 450.542 1.711 50 10 JDGE CN(C)C[C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545082 QWEHOUJBBMEQLI-SJCJKPOMSA-N 464.357 1.255 50 10 JDGE C[C@@H](Br)CN1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2113856885 RJCONCKOQQXRCK-AUUYWEPGSA-N 490.395 1.742 50 10 JDGE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240339819 VHSCPRMDLFZPDB-AWJSGTLTSA-N 462.175 1.557 50 10 JDGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CB(O)O)C(=O)O 2248874440 HQYAWIQAOXHIIY-RTWAWAEBSA-N 468.315 1.982 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)s1 2268639997 SXRSQIWVDNNVNN-IBGZPJMESA-N 475.420 1.720 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cc(Cl)ccc1B(O)O 2282325157 ADRWDBPYTJKPAG-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE Cc1nsc(B(O)O)c1C(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2282462101 HYQZGSYIUUITTM-UHFFFAOYSA-N 488.419 1.421 50 10 JDGE C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cccc(B(O)O)c1 2284058242 JWGSPZUHNNPMNJ-AVRWGWEMSA-N 467.375 1.713 50 10 JDGE CO[C@]1(CBr)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703958412 PKXVDLSUHWQBJG-SFHVURJKSA-N 459.362 1.878 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1cccc(Br)c1 1648679673 AQHSXIBTRPSZTB-HNNXBMFYSA-N 457.325 1.689 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H]1CBr 2000545812 VLJSULPXHDZQSO-PXAZEXFGSA-N 463.325 1.436 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)c1ccc(F)cc1Br 2096621074 KVWIFQARLXOIFV-QMMMGPOBSA-N 466.066 1.843 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 2177842061 AARPXFFNXFNLLX-APPZFPTMSA-N 467.588 1.941 50 10 JDGE C[C@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1ccc(B(O)O)cc1 2284143591 QROPYVCYWFLMDI-SFHVURJKSA-N 468.359 1.998 50 10 JDGE Nn1c(N/N=C/c2cccc3ccccc23)nnc1SCC(=O)NNC(=O)C(F)(F)F 20913182 JHVRQRXFWQMRJY-GZIVZEMBSA-N 452.422 1.393 50 10 JDGE COC1(CBr)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1951051590 FKNQGRVRDAIWTM-UHFFFAOYSA-N 459.362 1.734 50 10 JDGE CO[C@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2245986035 LXACDGYISQDOPK-BZNIZROVSA-N 451.314 1.340 50 10 JDGE Cc1cc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)oc1B(O)O 2247876570 RLQNSXBTLZWEIO-UHFFFAOYSA-N 464.283 1.858 50 10 JDGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1ccc(B(O)O)cc1 2248913359 FZAISRTVXOVYQP-UHFFFAOYSA-N 458.323 1.954 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(B(O)O)cc2F)C1 2267380019 BATYGZFCCVLURM-UHFFFAOYSA-N 480.323 1.247 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B(O)O)c2C1 2268655756 PLOMFXOZEIPTOS-HRAATJIYSA-N 454.332 1.707 50 10 JDGE O=C(NCCS(=O)(=O)CCBr)c1cc(I)sn1 2299303804 YLOZOUZHXISSDE-UHFFFAOYSA-N 453.121 1.287 50 10 JDGE Cc1nc(I)c(I)n1CCC[C@@H]1C[C@H]1C(=O)NN 2315769105 GNTQUNNETHTTMJ-HTQZYQBOSA-N 474.084 1.807 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCOC[C@@H]1Br 706726675 GJHWOCVFMZSBPC-GJZGRUSLSA-N 459.362 1.781 50 10 JDGE CC(=O)N1CCC[C@H]1C(=O)NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 751200149 JITLEYIQLIXNOT-FQEVSTJZSA-N 492.985 1.689 50 10 JDGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 1216725697 GPLWHNAWQOQYMV-OAQYLSRUSA-N 453.499 1.343 50 10 JDGE C[C@H](NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256599267 VMOZXDPXDUTKCN-HOCLYGCPSA-N 463.365 1.500 50 10 JDGE CN(Cc1ccccc1B(O)O)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268627940 AHNHTSINGGFIPA-UHFFFAOYSA-N 455.364 1.352 50 10 JDGE Cc1ccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1B(O)O 2268631704 BMQLLYBAVWOLDA-XMMPIXPASA-N 453.348 1.783 50 10 JDGE C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cscc1B(O)O 2268632086 GIPBBRGHUIDAEY-MWTRTKDXSA-N 473.404 1.775 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 254300656 HQDAEXXCJIWCOM-GFCCVEGCSA-N 468.478 1.669 50 10 JDGE COc1cc(C(=O)NCC(=O)NN=C2C(=O)N(CCC#N)c3ccccc32)cc(OC)c1OC 254392919 KFNVCFZCYDXXAK-UHFFFAOYSA-N 465.466 1.223 50 10 JDGE CN(CC(=O)NN=c1sc2ccccc2n1C)S(=O)(=O)c1ccc2c(c1)OCCCO2 254491795 ZDKFPQZQQNCSRZ-UHFFFAOYSA-N 462.553 1.654 50 10 JDGE N#CC1=C(N)n2c(sc(=Cc3ccc4c(c3)OCO4)c2=O)=C(C#N)[C@@H]1c1ccc2c(c1)OCO2 254736768 MVNCAZXPJWYDBP-OAQYLSRUSA-N 470.466 1.319 50 10 JDGE N#CCC(=O)NN=Cc1cc(I)c(O)c(I)c1O 1084443980 XRCNHBJZRWWTQE-UHFFFAOYSA-N 470.992 1.671 50 10 JDGE CN1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H](CBr)C1 2046021587 CNOIGBVBWVQBSN-UGSOOPFHSA-N 476.368 1.352 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)s1 2243434371 XQKBUUHKDDQUGM-UHFFFAOYSA-N 454.379 1.534 50 10 JDGE O=C(CSc1n[nH]c(N/N=C/c2c(O)ccc3ccccc23)n1)NNC(=O)C(F)(F)F 20907819 PDCFNBGLVJDJRS-QPSGOUHRSA-N 453.406 1.911 50 10 JDGE CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccc(-c2ccc(B(O)O)s2)s1 203534911 FPDJHHUGMYDPON-UHFFFAOYSA-N 454.228 1.984 50 10 JDGE C#CC[C@@H](CCOC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1674888131 PYVMDRHQAXDGQH-IBGZPJMESA-N 458.540 1.538 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H](CO)C1 2116268298 JBOXXEVNTJFCNW-GXTWGEPZSA-N 456.403 1.298 50 10 JDGE O=S1(=O)CCCN(S(=O)(=O)c2cc(CBr)oc2Br)CC1 2179774179 CNOKQXXZFMUUGF-UHFFFAOYSA-N 451.158 1.746 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2nccc(B(O)O)c2F)CC1 2231650287 SDYOCUWWKHAVBF-UHFFFAOYSA-N 468.335 1.195 50 10 JDGE O=C(N1CCC(C2(O)CN(CCOCCI)C2)CC1)C(F)(F)F 2306799349 MXOMBBIMIULLIE-UHFFFAOYSA-N 450.239 1.286 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(OC)c(Br)c1 14645279 NFSUYANRCBYDDI-UHFFFAOYSA-N 462.322 1.063 50 10 JDGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NN3CCOCC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 215667241 FBQSKFBDDWKIAP-HERKVZFTSA-N 468.547 1.881 50 10 JDGE biogenic CS(=O)(=O)N(CC(=O)NN=Cc1ccc(OCC(N)=O)cc1)c1cccc(C(F)(F)F)c1 254397314 GKONPGHBRGJNOP-UHFFFAOYSA-N 472.445 1.486 50 10 JDGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccc(OC)c(OC)c2)nnn1-c1nonc1N 254763342 ZFNNCVDMIYTCFD-UHFFFAOYSA-N 471.522 1.636 50 10 JDGE CCOC(=O)c1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1873777742 QSYBMGKHPCRCNI-MOPGFXCFSA-N 479.537 1.993 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CCOCCCl 1989583857 ZVNVNCGQPSUNKV-UHFFFAOYSA-N 474.020 1.923 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)c1cc(Br)ccc1OC 2235935643 OUQPOCSBEIIAFQ-MRVPVSSYSA-N 478.102 1.713 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)NC[C@H]1C[C@@H](Br)C1)NC(=O)OCc1ccccc1 2249442402 LOHBOWLYQLVCLY-ZNMIVQPWSA-N 463.350 1.547 50 10 JDGE Cc1csc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c1B(O)O 2255577106 PYEMMXCLKXDBPJ-UHFFFAOYSA-N 469.369 1.581 50 10 JDGE CCc1nc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(B(O)O)s1 2266901907 VAYAURYHOHBTRP-UHFFFAOYSA-N 465.384 1.587 50 10 JDGE CC(C)(C)OC(=O)Nc1nc(CNS(=O)(=O)c2cc(Cl)c(B(O)O)s2)cs1 2282738393 UKMCCRGBWFVSEZ-UHFFFAOYSA-N 453.760 1.363 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B(O)O)C1 2283966378 WKWFKIJYSNNLKE-JOCHJYFZSA-N 467.375 1.276 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B(O)O)cc2F)CCN(Cc2ccccc2)C1 2285185524 BTAKIOJQVVJFSL-XMMPIXPASA-N 471.338 1.291 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(CCOCCI)C2)[C@H]1CO 2306796744 NSBZXFYOUCMUBM-XQLPTFJDSA-N 454.349 1.892 50 10 JDGE COCCN(/C=C(/C#N)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 253321794 WFGBIHSGFJVKRS-HNVHZNJASA-N 451.545 1.424 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccncc2)c1CN1CCC(Cc2ccccc2)CC1 254631155 IDICOJJNBFUDRO-UHFFFAOYSA-N 486.540 1.846 50 10 JDGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)[C@H]3Cc4ccccc4O3)nnc12 748285813 UMDIOZYIZZWAEK-GOSISDBHSA-N 476.518 1.473 50 10 JDGE Cc1nc(I)c(I)n1Cc1csc(C(=O)NN)n1 2028584907 AHDVRAVDVVSUGQ-UHFFFAOYSA-N 489.080 1.509 50 10 JDGE Cc1cccc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1B(O)O 2267332742 NKXUEOZNKVQEMM-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE CC(C)(C)OC(=O)C(C[C@@H](N)C(=O)O)(SSCC[C@@H](N)C(=O)O)C(=O)OC(C)(C)C 98089151 VOWXRENMPMPXGH-GHMZBOCLSA-N 468.594 1.394 50 10 JDGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)c3scnc3C)nnc12 729452809 IGQAMKOBLKLXMK-UHFFFAOYSA-N 455.525 1.548 50 10 JDGE C=C[C@@](C)(O)C(=O)NNC(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 1135555302 ULRKGPHSGJWQRB-JOCHJYFZSA-N 456.524 1.868 50 10 JDGE O=C(CBr)NCC1CCC(C(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)CC1 2060423826 QBDWOLSTNRXFSL-UHFFFAOYSA-N 488.379 1.588 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(B(O)O)c(Cl)s2)C1 2267086687 IUGXQLJXMXJSCK-INIZCTEOSA-N 493.822 1.933 50 10 JDGE Cc1cc(B(O)O)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2267235975 RXCPTGADIAQKGC-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE C[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268649550 JNHISGNLVJNFMU-UWJYYQICSA-N 455.364 1.569 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)s1 2284055728 YIWQOIDOLPQAKE-XMMPIXPASA-N 487.431 1.864 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2Cc3cccc(B(O)O)c3C2)CCN(Cc2ccccc2)C1 2284058573 NWIYHBADSLHFDT-VWLOTQADSA-N 465.359 1.378 50 10 JDGE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1ccc(B(O)O)cc1 2284059397 TVQIUQKMBOPYFF-BVZFJXPGSA-N 467.375 1.713 50 10 JDGE COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 58987915 KPRYLSGIHSQCPH-AWQFTUOYSA-N 472.443 1.726 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)c1ccc(Br)cc1F 234614563 IJXQNOFMVTVSDS-QMMMGPOBSA-N 466.066 1.843 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)c(OC)c1 254491818 ZQUQYNPFKQFXGQ-UHFFFAOYSA-N 477.485 1.650 50 10 JDGE CCOc1ccccc1C(C)=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C 254840501 CJWPPAMPPXSDQI-UHFFFAOYSA-N 483.518 1.206 50 10 JDGE CC(=O)N(C)c1ccc(CNC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 1637021742 XCMFCOQBBHSQNV-UHFFFAOYSA-N 452.559 1.712 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NS(=O)(=O)CI)C1 1884473198 CVKNASLYPBMXGJ-YBYGRFCBSA-N 452.336 1.816 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCOCCCI 1955510564 QKRGNNQWABOPFT-UHFFFAOYSA-N 466.297 1.044 50 10 JDGE Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(C=NNC(=O)Cn3ccc(C(F)(F)F)n3)cc12 2069678907 KMJRNVRTFJUREC-ZDUSSCGKSA-N 469.449 1.465 50 10 JDGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNc1ncc(Br)cc1B(O)O 2240342241 KLHXPNPSKLNGPE-NSHDSACASA-N 450.089 1.971 50 10 JDGE Cc1cc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2256666890 XAXQWYLCVKVRRC-QGZVFWFLSA-N 462.377 1.853 50 10 JDGE O=C(N/N=C/c1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O)c1ccncc1 9090218 ZWPFJIAQZRQCHR-ZVHZXABRSA-N 469.490 1.980 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1C 33617805 UISUGLRUQUGFLW-RPXHZFJKSA-N 492.582 1.779 50 10 JDGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254772186 UZVQGAJCPORLOQ-UHFFFAOYSA-N 462.426 1.791 50 10 JDGE O=C(CCc1nc(O)c2cnn(-c3ccccc3)c2n1)NNC(=O)COc1ccccc1F 768349918 AKZMXMMOKYNPRO-UHFFFAOYSA-N 450.430 1.819 50 10 JDGE CC1(C)S[C@H]2[C@H](NC(=O)/C(C#N)=C/c3ccc(Br)cc3)C(=O)N2[C@H]1C(=O)O 1866128940 UJENERZGQQLCSS-ATQCHBRQSA-N 450.314 1.988 50 10 JDGE CN1C(=O)c2ccc(N3C[C@@H](C(=O)N4CCC[C@H](C(=O)NNc5ccccn5)C4)CC3=O)cc2C1=O 1872962050 OZUZIZRYSDQHBM-HOTGVXAUSA-N 490.520 1.042 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@@H](CO)C1 2116268300 JBOXXEVNTJFCNW-OCCSQVGLSA-N 456.403 1.298 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCc2cccc(B(O)O)c21 2283966726 WQUCGPCQKDEOPL-IBGZPJMESA-N 468.315 1.282 50 10 JDGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253574022 SBYFHIYJBBQXPR-REZTVBANSA-N 465.452 1.353 50 10 JDGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 254739504 JTACYNZHMTYWJK-UHFFFAOYSA-N 481.517 1.548 50 10 JDGE Cc1cc(/C=C(\C#N)C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F 920289702 AMQJQGFWKLZMBN-MVDPLZLPSA-N 472.542 1.902 50 10 JDGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 1084548817 YKINTBRQXXPMQX-DYESRHJHSA-N 452.511 1.688 50 10 JDGE C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1866592928 OQNGNNHDPUZTFA-MRXNPFEDSA-N 487.607 1.953 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@@H]1COC[C@@H]1Br 2002395634 HDSKSYXUSYPLSW-CJNGLKHVSA-N 459.362 1.782 50 10 JDGE CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2NS(=O)(=O)CI)CC1 2007710632 WFRWWJWPEOUHEG-CHWSQXEVSA-N 473.377 1.772 50 10 JDGE CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NC[C@H](Br)CBr)c1 2172982701 NEXVCXKJYYVAPP-SSDOTTSWSA-N 453.149 1.666 50 10 JDGE O=S1(=O)CCC(CBr)(CNS(=O)(=O)N2CC(OCc3ccccc3)C2)CC1 2199813500 NMGQNRULIZVBGW-UHFFFAOYSA-N 481.434 1.312 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCCCI)[C@@H]2CS(=O)(=O)C[C@H]21 2243586802 VYIOCPQOKKVQCD-CHWSQXEVSA-N 458.362 1.920 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2cc(B(O)O)ccc2C1 2268700106 JPWYUAZADAYFIM-OAQYLSRUSA-N 454.332 1.361 50 10 JDGE Cn1ncc(C(=O)N2C[C@@H]3OC[C@@H](CBr)O[C@@H]3C2)c1I 2279927868 GHGCKXORTDPWRL-FKTZTGRPSA-N 456.078 1.028 50 10 JDGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1c(F)cc(B(O)O)cc1F 2282157359 WZLILANBBFBBOA-UHFFFAOYSA-N 466.293 1.846 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2[C@@H](c2cccc(OC)c2)C(C#N)=C1N 1053057 XIOYPXNOHRGJJG-QHCPKHFHSA-N 489.553 1.809 50 10 JDGE COC(=O)[C@@H](I)CNC(=O)c1cc(I)ccc1O 234586469 XIJIZZBAYCELQK-QMMMGPOBSA-N 475.020 1.703 50 10 JDGE C=CC(=O)N1CCC(C(=O)NNC(=O)[C@@H]2CCN2C(=O)OC(C)(C)C)(c2ccccc2)CC1 1456020685 SVMHWIPPCQBHBE-SFHVURJKSA-N 456.543 1.890 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ncc(B(O)O)s2)C1 2256640912 LBJMSEBTMUPPHK-NRFANRHFSA-N 461.349 1.605 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cc(F)c(B(O)O)cc2F)C1 2267610508 GAGCJMLSBFHAFO-UHFFFAOYSA-N 462.258 1.838 50 10 JDGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc21 15093006 LNGLEUQOJZHBGN-UHFFFAOYSA-N 498.561 1.811 50 10 JDGE C[C@@H](OCCCl)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 196573276 XZXFETIYHPKOOL-BFNSABJLSA-N 477.905 1.316 50 10 JDGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCC#N 1084020155 OJYMRKKTOCDXSM-UHFFFAOYSA-N 472.283 1.375 50 10 JDGE C=CCOc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1OC 1622153316 ASOVCYDDWLZQEY-UHFFFAOYSA-N 452.511 1.479 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCOC[C@H]1Br 2000532338 IVKSXIPWTNZQLS-KEYYUXOJSA-N 463.325 1.483 50 10 JDGE CN(C)C[C@H](CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545090 QWEHOUJBBMEQLI-YVEFUNNKSA-N 464.357 1.255 50 10 JDGE COC[C@@](C)(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546154 YAVPKPIZVGTPAH-IAGOWNOFSA-N 465.341 1.730 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2008658347 AFOLGFQCSYKDNS-WQVCFCJDSA-N 457.346 1.344 50 10 JDGE CN(C)C[C@@H]1C[C@H](Br)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2009111783 ICZZQVQQTOMNQI-KBPBESRZSA-N 458.378 1.402 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2015244076 CKDZOWDGWVOPQB-YWVIFJGQSA-N 457.346 1.344 50 10 JDGE O=C(N[C@@H]1COCC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1)OCc1ccccc1 2044256247 ALPNQARQYBNEDK-DLBZAZTESA-N 476.393 1.764 50 10 JDGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@H]1CCN(S(C)(=O)=O)C1 2244066914 RAWXOGNESFXWBH-SMDDNHRTSA-N 462.350 1.755 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CC(Cl)C2)C1 2244768151 UPUONHZMIFAKNS-UHFFFAOYSA-N 469.004 1.600 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@H]2C1 2251275835 MSOGEEQFPVHGDR-XEZPLFJOSA-N 457.346 1.487 50 10 JDGE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)ccc1B(O)O 2281718269 YZMHBUIGTKYXLC-NRFANRHFSA-N 467.375 1.526 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCc3sc(B(O)O)cc3C2)CCN(Cc2ccccc2)C1 2283956908 MYXSAAWZTHKQJM-DEOSSOPVSA-N 485.415 1.482 50 10 JDGE COC(=O)[C@H](CBr)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2303516726 RDCZQDRPFOXTJH-ZDUSSCGKSA-N 461.334 1.165 50 10 JDGE O=C(CI)NCCSSCCNC(=O)CI 111452126 STPVSTIWFFFMMN-UHFFFAOYSA-N 488.154 1.470 50 10 JDGE NNC(=O)c1cccc(Cn2cnc(I)c2I)c1 306054517 QNZBBVJKYRIALQ-UHFFFAOYSA-N 468.036 1.744 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cn(C)nc1C 1084463022 YSOANRKUFKCLHW-UHFFFAOYSA-N 450.532 1.541 50 10 JDGE C=C[C@@H](O)C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1290034367 CVIRPGJBRVULCR-OAHLLOKOSA-N 454.302 1.558 50 10 JDGE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1447347322 KKYKPVOOUOZQEY-LJQANCHMSA-N 459.547 1.596 50 10 JDGE CN(C)C[C@@H](Br)CN(C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942099237 SPZSFTOOLPNOBT-CQSZACIVSA-N 460.394 1.650 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccncc2B(O)O)CCN(Cc2ccccc2)CC1 2282249005 BMKYGUVYBQBKHU-UHFFFAOYSA-N 468.363 1.051 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cccc(Cl)c2B(O)O)C1 2283097950 RCBRALSKEBYOQF-GOSISDBHSA-N 487.793 1.871 50 10 JDGE OB(O)c1cc(Nc2cc(I)cc(I)c2)ncc1F 2343948509 RZOPFLOFXPJQPO-UHFFFAOYSA-N 483.815 1.853 50 10 JDGE O=C(CCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1)NNS(=O)(=O)c1ccc(Cl)cc1 12575239 COUNHHFRVIGYGX-UHFFFAOYSA-N 495.366 1.093 50 10 JDGE N=c1nc(O)n([C@@H]2O[C@H](CI)[C@@H](O)C2(F)F)cc1I 725439729 OQQDUEFONDVLKJ-WYDQCIBASA-N 498.993 1.001 50 10 JDGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1540331048 HHQKNLGFOCMQDB-AWEZNQCLSA-N 451.549 1.356 50 10 JDGE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1586843736 QCOGUTOSYVHHEO-HXUWFJFHSA-N 458.540 1.124 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCN(CCBr)C1 2108244625 RCQBDYRXKNDVOG-IFXJQAMLSA-N 490.395 1.790 50 10 JDGE CN(C1CS(=O)(=O)C1)S(=O)(=O)c1cc(CBr)sc1Br 2123199239 POVOVPHDQVGMGV-UHFFFAOYSA-N 453.199 1.823 50 10 JDGE Cc1cc(NC(=O)[C@H]2C[C@H]2Br)c(I)cc1S(N)(=O)=O 2231926045 QKYUAWVXVJOPOY-NKWVEPMBSA-N 459.103 1.969 50 10 JDGE O=C(OCc1ccccc1)N1CC(CNS(=O)(=O)c2c(Cl)cc(B(O)O)cc2Cl)C1 2282373941 UJZPLRZCPCUBMQ-UHFFFAOYSA-N 473.143 1.220 50 10 JDGE C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2283961888 IHZVTNSJMCPEPT-UZLBHIALSA-N 470.331 1.570 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)C1=CNc1ccc(O)c(NC=C2C(=O)N(C)C(=O)C(C#N)=C2C)c1 2297532077 NAAOKYNGKGHOCA-UHFFFAOYSA-N 472.461 1.661 50 10 JDGE Cn1ncc(C(=O)N2CCCN(CCCBr)CC2)c1I 2366449569 AQKAXXHWJGYVIL-UHFFFAOYSA-N 455.138 1.958 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3cc(OC)c(OC)cc3OC)nnn2-c2nonc2N)c1 254590240 XBURSTDJFDLBLD-UHFFFAOYSA-N 494.468 1.698 50 10 JDGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)CC1 727366309 VCUDWKAHELULJU-UHFFFAOYSA-N 462.514 1.387 50 10 JDGE OB(O)c1cc(Br)c(I)cc1I 2059984909 JFPVXXWNAUDINW-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106773052 JMQFHTHSBSDOPJ-PWSUYJOCSA-N 450.321 1.870 50 10 JDGE CN1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H](CCBr)C1 2138076759 CRQLJPRTHKNZSM-IFXJQAMLSA-N 490.395 1.742 50 10 JDGE COc1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1B(O)O 2339737322 MBNSGPVCOHQDHV-QRWLVFNGSA-N 458.320 1.812 50 10 JDGE N=c1nc(O)n([C@@H]2O[C@H](CI)[C@@H](O)C2(F)F)cc1/C=C/Br 725422587 XAFJOKKJTFEKRV-AHNITTJUSA-N 478.031 1.762 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 1135447717 UYQJOPMSSNPCOB-HXUWFJFHSA-N 451.932 1.485 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)c(=O)c2c1C 1865851733 HPHCRTHJNVHOHS-GOSISDBHSA-N 481.534 1.543 50 10 JDGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2C(=O)N1CCC(Br)CC1 2183498213 WZEIJRZCQVFBJG-UHFFFAOYSA-N 466.398 1.686 50 10 JDGE O=C(NOCCCNS(=O)(=O)c1ccccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2255674509 ZBNSUUSUYMLMTO-UHFFFAOYSA-N 496.350 1.505 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268718751 UGHHCUBQEISAKS-QHCPKHFHSA-N 473.404 1.522 50 10 JDGE Cc1cc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)ccc1B(O)O 2273757762 WIZAKVNUTBQDMF-UHFFFAOYSA-N 455.364 1.318 50 10 JDGE CN1CCN(c2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40610489 IFTPCXKZCPLMQL-UHFFFAOYSA-N 456.290 1.966 50 10 JDGE COc1cc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)ccc1OCc1cccc(Cl)c1 169893208 IKOOHXOZZZSMPF-NUGSKGIGSA-N 458.862 1.261 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3scnc3C)CC2)cc1 729508971 QTFBMMLNGMNBGK-UHFFFAOYSA-N 451.530 1.015 50 10 JDGE COc1cc(C=NNC(=O)Cc2cn3ccsc3n2)ccc1OCC(=O)N1CCOCC1 824545453 TXCRMDBUURWDCV-UHFFFAOYSA-N 457.512 1.335 50 10 JDGE C=CCNC(=S)NNC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Cl)cc1 1624253387 KUFQQJPVLDZUKI-UVTDQMKNSA-N 457.947 1.667 50 10 JDGE C[C@@H](C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860771686 DKLMVOAEAYVXCM-OLZOCXBDSA-N 493.545 1.587 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@H](CBr)C1 2000538550 HUEZIDMGKCIVSU-PXAZEXFGSA-N 463.325 1.436 50 10 JDGE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)CI 2056599731 BBNXOGIQDVDQCW-VXGBXAGGSA-N 490.360 1.877 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC[C@@H]1CO 2122367195 FCWHFUPMRRUWQQ-TZMCWYRMSA-N 456.403 1.298 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](CBr)OCC12CC2 2127556860 YPBVFAOGHZMQBV-ACJLOTCBSA-N 489.363 1.969 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccsc1B(O)O 2255482832 AKNQBMNWFNAMEA-UHFFFAOYSA-N 471.385 1.356 50 10 JDGE C#CC[C@H](CCOC)NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1674888132 PYVMDRHQAXDGQH-LJQANCHMSA-N 458.540 1.538 50 10 JDGE O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860771178 MHWJSTAXDYVXSW-UHFFFAOYSA-N 487.497 1.569 50 10 JDGE CC(=O)Nc1cccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961610 MINIJQNACRDKSF-QZTJIDSGSA-N 464.526 1.775 50 10 JDGE O=C(NOCCCNC(=O)c1ccc(B(O)O)cc1)OCC1c2ccccc2-c2ccccc21 1963589128 QNSNLZWOVMLQBX-UHFFFAOYSA-N 460.295 1.957 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B(O)O)c1 2256628621 KPQSUFTYFAIPCY-SFHVURJKSA-N 461.393 1.412 50 10 JDGE Cc1cc(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)sc1B(O)O 2268635750 VGNREKCCKVPENW-HSZRJFAPSA-N 473.404 1.522 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2ccc(B(O)O)cc21 2268716649 GOFRUGUOMIBLQS-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3cccc(S(=O)(=O)O)c3)CC2)cc1 2324210044 NUPSARZRMKXMIQ-UHFFFAOYSA-N 490.563 1.594 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2I)cc1 59460873 KCBDFFOQVVIAGZ-UHFFFAOYSA-N 459.265 1.873 50 10 JDGE COc1ccc(/C=N/NC(=O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 606630247 OPTYAGBSNSBCQU-DHRITJCHSA-N 475.509 1.645 50 10 JDGE C[C@H](Cl)CN1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2176856212 QIJOWNKYVJVMAC-MGPUTAFESA-N 459.971 1.976 50 10 JDGE O=S1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 2240878445 USLBHJJAGVFDGF-WCBMZHEXSA-N 451.133 1.427 50 10 JDGE C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1nscc1B(O)O 2256640406 SFEKAUKAESEGCA-OAHLLOKOSA-N 462.381 1.027 50 10 JDGE Cc1cc(B(O)O)cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1 2281723075 LVHOWDVOFJHVCJ-QFIPXVFZSA-N 467.375 1.526 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283947649 CQGVKLYRMWRCFB-KRWDZBQOSA-N 490.387 1.722 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)NCc2cccc(B(O)O)c2)CCN(Cc2ccccc2)CC1 2284055105 OGIBCEQQSMTZOS-UHFFFAOYSA-N 467.375 1.542 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Cl)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 44699236 YRXSTYGMBJFQAY-YYWYGQEZSA-N 453.831 1.041 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1sccc1I 2008520985 GMPUXWFMPDORJN-IYSWYEEDSA-N 450.117 1.643 50 10 JDGE CN1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H](CCBr)C1 2138076761 CRQLJPRTHKNZSM-LIRRHRJNSA-N 490.395 1.742 50 10 JDGE CO[C@H]1[C@@H](CCl)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1OC 2233356574 QBHUKCGYMOWMSZ-ZACQAIPSSA-N 458.964 1.592 50 10 JDGE Cc1cc(B(O)O)ccc1NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268710531 IRQULLNAMRHHNS-XMMPIXPASA-N 453.348 1.783 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2cccc(B(O)O)c21 2268717819 MSWJFLDHJQOMDY-LJQANCHMSA-N 454.332 1.756 50 10 JDGE COc1c2nc(CBr)n(C)c(=O)c2c(OC)c2nc(CBr)n(C)c(=O)c12 606873 OAIDJPDDUYAYTI-UHFFFAOYSA-N 488.136 1.987 50 10 JDGE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623635 QUUZCYLFHYQURI-YRYLYKBFSA-N 467.507 1.679 50 10 JDGE CCOc1ccccc1C=NNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 254441101 PDASHHMKEZOXHU-UHFFFAOYSA-N 460.556 1.996 50 10 JDGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)CCCN1C(=O)c2ccccc2C1=O 1865757889 ZJYRQXKFSOVVAF-UHFFFAOYSA-N 450.480 1.746 50 10 JDGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179820189 VFSHZMCVMWBDDM-MOPGFXCFSA-N 458.422 1.923 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCO[C@]2(CBr)C1 2231364954 ZQSHMVATOBWWHT-FASAQXTFSA-N 489.363 1.826 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)Cc1ccc(B(O)O)cc1)Cc1ccccc1 2255890880 QZBGTFGVAISYGO-UHFFFAOYSA-N 452.385 1.830 50 10 JDGE Cc1cc(B(O)O)cnc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2257494294 YFPFBOXFOXNPGT-UHFFFAOYSA-N 475.310 1.660 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2cc(B(O)O)ccc2C1 2268700102 JPWYUAZADAYFIM-NRFANRHFSA-N 454.332 1.361 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@H](CN(CCOCCI)C2)[C@H]1CO 2306796743 NSBZXFYOUCMUBM-BARDWOONSA-N 454.349 1.892 50 10 JDGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1-c1cccc([N+](=O)[O-])c1 3095486 MWXWMLZZWITHLR-AWQFTUOYSA-N 464.358 1.480 50 10 JDGE Cc1cc(C)cc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2cc(C)cc(C)c2)c1 100096415 WYOSQNNGCRDUBR-UHFFFAOYSA-N 484.553 1.843 50 10 JDGE N#CC1=C(N)n2c(sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)=C(C#N)[C@H]1c1ccc([N+](=O)[O-])cc1 254499803 PDJPRLYVVSNLDI-IBGZPJMESA-N 472.442 1.678 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)[C@@H]3CCCCO3)cc2)cc1 1159634197 JOSNSMJHACZMEL-FQEVSTJZSA-N 459.524 1.698 50 10 JDGE COc1cc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc(OC)c1OC 1872962048 OZAIOZQKROJXKO-SJORKVTESA-N 497.552 1.842 50 10 JDGE COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872962879 XZTITMUKDKJHPG-VQTJNVASSA-N 495.580 1.872 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCOC[C@@H]1CBr 1942088143 KCXIGBWFHRWZFH-AWEZNQCLSA-N 459.362 1.878 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 2042440852 QQXQDDFTCLNMRN-UHFFFAOYSA-N 486.525 1.819 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)C2Br 2048820113 BGTVNRXSJSXEMQ-VMZNBEPHSA-N 471.373 1.734 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B(O)O)s2)CCN1C(=O)OC(C)(C)C 2247738620 SXKHNFGJUFCSDW-UHFFFAOYSA-N 455.342 1.273 50 10 JDGE Cc1cc(B(O)O)c(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)s1 2255768939 LVPUJYYMFVKHEA-UHFFFAOYSA-N 450.369 1.938 50 10 JDGE Cc1sc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2256678930 HRMIMDDEHSHIBC-KRWDZBQOSA-N 462.377 1.771 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2sccc2B(O)O)C1 2259429493 QXFGRZMVGRZFLJ-UHFFFAOYSA-N 469.369 1.014 50 10 JDGE Cc1sc(B(O)O)c(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1C 2281897284 TUNZURMEDQRBPQ-UHFFFAOYSA-N 499.439 1.973 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2cccc(B(O)O)c2C1 2283937780 XTTVPLGYIQERKL-FQEVSTJZSA-N 468.359 1.751 50 10 JDGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 9821882 ZMLBMLUYQGDESZ-UHFFFAOYSA-N 472.567 1.834 50 10 JDGE C#CC[C@@]1(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1293609238 KGKQCWHECVMOTA-NRFANRHFSA-N 453.540 1.635 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)NCc2ccccc2)cc1 1567713430 HBNUZMMMZRLNEP-FQEVSTJZSA-N 458.540 1.963 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(F)c(B(O)O)c(F)c2)CCN(Cc2ccccc2)C1 2366887611 BKPBZUORCNPNJS-HSZRJFAPSA-N 475.301 1.753 50 10 JDGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 751290442 LLQJJKFTYVNBLU-HXUWFJFHSA-N 490.607 1.498 50 10 JDGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 921058154 AETUEFLQIPZQEP-GOSISDBHSA-N 451.512 1.071 50 10 JDGE Cc1nn(C)c(C)c1C=NNc1nc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n[nH]1 1084427211 QVHUQNQZEIFZOL-UHFFFAOYSA-N 461.939 1.808 50 10 JDGE O=C(NCC(=O)N1CCc2scc(B(O)O)c2C1)OCC1c2ccccc2-c2ccccc21 1900046853 GOLKJSMUWVMIPZ-UHFFFAOYSA-N 462.336 1.851 50 10 JDGE CC1(C)CO[C@H](CBr)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2002327668 ZBOSBKGXSOHECH-CYBMUJFWSA-N 459.362 1.877 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1CO 2122366765 BJCYAFSNJCDZDZ-OCCSQVGLSA-N 456.403 1.298 50 10 JDGE Cc1nc(I)c(I)n1C[C@H]1CC[C@H]1C(=O)NN 2215776150 LCIJDCDPWMIMHT-RNFRBKRXSA-N 460.057 1.417 50 10 JDGE Cc1scc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1B(O)O 2343510390 XBPGPAYATXPZPL-SFHVURJKSA-N 473.404 1.588 50 10 JDGE C[C@@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 1084512648 OEFKKRPSJJMTGC-DYESRHJHSA-N 452.511 1.688 50 10 JDGE C[C@H](Br)[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCO1 2005903924 QKOOXXBYLAQYPI-BBRMVZONSA-N 459.362 1.877 50 10 JDGE O=C(N[C@H]1COCC[C@H]1Nc1ncc(Br)cc1B(O)O)OCc1ccccc1 2223665425 AZVBRJBOBDZSKP-CVEARBPZSA-N 450.098 1.020 50 10 JDGE CC(C)n1cc(B(O)O)cc1C(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2281696114 XNNJIMVNXRXYJW-UHFFFAOYSA-N 461.371 1.950 50 10 JDGE CCOC(=O)C1=NO[C@H](Cc2c(C=NNC(=O)c3ccncc3)c3c(c(OC)c2OC)OCO3)C1 254523135 VINAHFYMEOOIJH-CQSZACIVSA-N 484.465 1.842 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N2CCC(N3CCCC3=O)CC2)cc1 729444962 CSFFFQNVINTFSB-CYVLTUHYSA-N 490.564 1.954 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@H]21 1942903644 HXBABMOGFBBMKJ-APHBMKBZSA-N 457.346 1.629 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 40658419 XXHHIRGAJSPMLJ-UHFFFAOYSA-N 468.386 1.815 50 10 JDGE CCCCCn1nc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c2ccccc2c1=O 920745911 DQMABTULYOCJIW-ZHRRBRCNSA-N 457.556 1.802 50 10 JDGE O=C(C[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 1866098912 FISBMXSNZPDSMD-JOCHJYFZSA-N 461.279 1.342 50 10 JDGE C[C@H](CBr)N1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2113067057 VZQGXRAPQINXQF-KUHUBIRLSA-N 490.395 1.742 50 10 JDGE C[C@H](Br)CN1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2113856888 RJCONCKOQQXRCK-LIRRHRJNSA-N 490.395 1.742 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1c(Cl)cccc1B(O)O)OCc1ccccc1 2255755095 KOJOTFPAQPTQPB-UHFFFAOYSA-N 484.767 1.667 50 10 JDGE COc1cc(C=NNC(=O)CCc2nnc(O)nc2O)cc(Br)c1OC(C)C 2323181839 JFVMERVOONUIBY-UHFFFAOYSA-N 454.281 1.924 50 10 JDGE CNC(=O)/C(C#N)=C\c1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c(C)cccn2c1=O 2199932 RXVBWJBGDBVPGQ-SDXDJHTJSA-N 458.522 1.991 50 10 JDGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccccc2C(=O)O)nnn1-c1nonc1N 3633019 DGHFZSLSIKOANG-SSDVNMTOSA-N 455.479 1.317 50 10 JDGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Br)c(C)c1 13997492 BCRYDUYLTFBBTR-UHFFFAOYSA-N 460.350 1.892 50 10 JDGE CCOC(=O)N1CCN(C(=O)CCC(=O)NNc2nc3ccccc3c3nc(C)nn23)CC1 20286912 RXAQMAQCWJDCRT-UHFFFAOYSA-N 454.491 1.110 50 10 JDGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 217229276 UPXMLQSWBAGIHN-BMOGTNHUSA-N 455.924 1.645 50 10 JDGE Cn1c(=O)c2ncn(CC(=O)NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2n(C)c1=O 254583737 SSWUFDYJEPKPQS-UHFFFAOYSA-N 468.558 1.885 50 10 JDGE C[C@@H](Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)C(=O)NNC(=O)C1CCC1 1084353099 WTXFTRZCXOAQSJ-SECBINFHSA-N 477.463 1.495 50 10 JDGE CC#CCCCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1160439423 YNVLRGJODRMZSF-KRWDZBQOSA-N 451.545 1.294 50 10 JDGE COc1ccc(CCN2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872963021 YLLLROKTYNCCNW-VQTJNVASSA-N 465.554 1.863 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2040599570 YKUJKZOCLMJNCO-JYJNAYRXSA-N 471.373 1.733 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1C[C@@H](Br)CCO1 2046028626 JVZXSROHGOFNJM-LXIYXOSZSA-N 477.352 1.873 50 10 JDGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)CO1 2106305712 RCOIZSBMPUEUEP-OCCSQVGLSA-N 456.403 1.610 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)N(C)C[C@H]1C[C@H]1Br)NC(=O)OCc1ccccc1 2249450839 PHOOOCLXNUXQQN-RBSFLKMASA-N 463.350 1.499 50 10 JDGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccc(OC)cc2)cc1 14021949 UYEBEUGQKMTVEP-UHFFFAOYSA-N 459.524 1.905 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 254850562 CUECUZBFQAIAAW-UHFFFAOYSA-N 476.457 1.931 50 10 JDGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NC[C@H]3CCCO3)cc2)cc1 725422842 BOMLEMYMZPMAMK-HXUWFJFHSA-N 454.483 1.458 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1 729448912 GKAURURBDTYBQR-JXOOJWAFSA-N 480.569 1.566 50 10 JDGE Nn1c(SCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)nnc1-c1cccc([N+](=O)[O-])c1 1083847879 YDLVHWZEYMQBGP-UHFFFAOYSA-N 458.416 1.423 50 10 JDGE O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)NN=Cc1ccncc1 1083963551 KKDCAERZYBHNLO-UHFFFAOYSA-N 456.400 1.695 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 1312819685 FPZJPQYWGBDYPG-BZSNNMDCSA-N 451.568 1.611 50 10 JDGE Cn1nc(CNS(=O)(=O)N2CCC(Br)CC2)c(I)c1Cl 2174384374 RMIIZQLWLAWPLA-UHFFFAOYSA-N 497.584 1.872 50 10 JDGE O=C(NOCCCNC(=O)c1csnc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243414923 KQSGPASNYBDALT-UHFFFAOYSA-N 467.312 1.413 50 10 JDGE NNC(=O)[C@H]1C[C@H]1CCCn1cnc(I)c1I 2300383226 LBZMVGCIOAGTSA-RQJHMYQMSA-N 460.057 1.499 50 10 JDGE COC(=O)[C@H](CCSSCC[C@H](NC(=O)C(F)(F)F)C(=O)OC)NC(=O)C(F)(F)F 96031259 JGSAOIPJFPLDIY-YUMQZZPRSA-N 488.428 1.588 50 10 JDGE in-vitro O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 100040415 UOTNZEQHBLNUGJ-UHFFFAOYSA-N 492.404 1.653 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(N/C=C2/C(=O)N(CCCN3CCCC3=O)C(=O)C(C#N)=C2C)c1 102676061 JFPUTBFQSAMGFD-XMHGGMMESA-N 494.504 1.777 50 10 JDGE CCN1C(=O)C(=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 242583159 CHXSOWOHBXCTIK-LBPRGKRZSA-N 450.524 1.865 50 10 JDGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NC[C@H]2CCCO2)cc1 1084057170 NTWFJZJCIWHPCL-GOSISDBHSA-N 454.483 1.458 50 10 JDGE CC(=O)N/C(=C/c1cccs1)C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 1293354032 XDZSRQSBLSJMMW-FOWTUZBSSA-N 451.549 1.955 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1COC[C@@H]1Br 1948499853 AIXLVSFQOJCAQP-CJNGLKHVSA-N 459.362 1.782 50 10 JDGE CN(C[C@]1(Oc2cc(B(O)O)c(F)cn2)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2343962359 ZBFRPFOHNKRZDN-HSZRJFAPSA-N 459.327 1.791 50 10 JDGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13630172 GPNLLOZPWPMIJA-GFCCVEGCSA-N 495.355 1.735 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NS(=O)(=O)N3CCC(Br)CC3)CO[C@H]2C1 2121647541 ZUXHUENWSFYGNZ-MJBXVCDLSA-N 454.387 1.314 50 10 JDGE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240343458 SCJSLDUEVUVKLO-UEVBJWJISA-N 462.175 1.557 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(F)c(B(O)O)c2)C1 2268794988 VHXAWHOSVUOTBO-UHFFFAOYSA-N 458.295 1.898 50 10 JDGE O=C(N[C@@H]1CC[C@H]1NS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl)OCc1ccccc1 2282366868 UUVLNAUHSRTRQH-HZPDHXFCSA-N 473.143 1.409 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3c(OC)cc(OC)cc3OC)nnn2-c2nonc2N)c1 254793596 SDKDCUXDGCKTSR-UHFFFAOYSA-N 494.468 1.698 50 10 JDGE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(S(=O)(=O)CI)C2)CC1 1983327081 IHNXXJKJHQTPIA-LBPRGKRZSA-N 459.350 1.336 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)[C@H](CC(F)F)C1 2240341476 MEWWTUXVQMZKON-LLVKDONJSA-N 450.089 1.605 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B(O)O)cc1F 2269697997 OYLQJJZNCDIIPN-MGPUTAFESA-N 460.311 1.620 50 10 JDGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)n2n1 20286921 ZXMUHCXJDMIURH-UHFFFAOYSA-N 459.514 1.553 50 10 JDGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c(N3C[C@H](C)O[C@H](C)C3)nc12 34780384 LHOKHXFDQNQIHG-MDCXUTEVSA-N 451.527 1.819 50 10 JDGE COC[C@@H](CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543151 MLWLHTDACSKKTD-SJKOYZFVSA-N 465.341 1.730 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CC1)C[C@@H](Br)CO2 2005246012 HONNIHXSWXFDMA-CYBMUJFWSA-N 457.346 1.631 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2162589635 SEXUPVOPNORLBF-GBJTYRQASA-N 468.414 1.751 50 10 JDGE CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2248405580 VFLQCRCXMCAFAB-DJJJIMSYSA-N 480.355 1.532 50 10 JDGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1ccccc1B(O)O 2248884640 HPPXRPVPQJZDMY-UHFFFAOYSA-N 458.323 1.954 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B(O)O)ccc1Cl 2256620940 OLXJOINMCPCIGY-SUMWQHHRSA-N 463.727 1.852 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(F)cc(B(O)O)cc1F 2281600637 CGTDFRAYDXAODA-UHFFFAOYSA-N 487.309 1.136 50 10 JDGE O=C(N[C@@H]1CC12CC(NS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C2)OCc1ccccc1 2282372915 FUFARGOLQWKPKA-HZEYSBKDSA-N 470.765 1.207 50 10 JDGE C=CCN1C(=NC=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@@H]21 2296564561 OFLMKAIZSDCAEC-FXAWDEMLSA-N 490.607 1.526 50 10 JDGE O=S1(=O)CCC(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)CC1 2320356035 GFAFYAGJNMSTNJ-OAHLLOKOSA-N 454.408 1.853 50 10 JDGE O=C(NCCS(=O)(=O)CCBr)c1cccc(F)c1I 2335767190 IEZQWPCHDVNPDP-UHFFFAOYSA-N 464.094 1.970 50 10 JDGE CC(C)OC(=O)C1=c2s/c(=C\c3ccc(O)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(O)cc1 8448550 UXZSHVIFAQOUGJ-DEWISIQVSA-N 475.526 1.700 50 10 JDGE O=C(NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(Br)o1 13623393 JPQKJNDSFRXIOZ-GFCCVEGCSA-N 465.329 1.726 50 10 JDGE COc1ccc(C=NNC(=O)c2c(C)nnn2-c2nonc2N)cc1CSc1nnc(C)s1 263626780 YSWBAZAEXDNYSO-UHFFFAOYSA-N 486.543 1.766 50 10 JDGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276619 IVEBYOQNWHCHIR-QMTHXVAHSA-N 467.375 1.223 50 10 JDGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)c2C)C1=O 1219058952 BAHNTQIGMBPCOY-IBGZPJMESA-N 453.455 1.776 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)CCCN3C(=O)c4ccccc4C3=O)c(=O)c2c1C 1860771980 NNSDCQBRRFZYHR-UHFFFAOYSA-N 467.507 1.299 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 2177842072 ABRVNZWCLOQOCO-VXNVDRBHSA-N 451.133 1.427 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ncc(B(O)O)cn2)CCN(Cc2ccccc2)CC1 2235603840 CRHPTUXBZBIMGE-UHFFFAOYSA-N 469.351 1.045 50 10 JDGE CO[C@H](CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2245986034 LXACDGYISQDOPK-BDJLRTHQSA-N 451.314 1.340 50 10 JDGE C[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256622628 JULXWTSVQATZNH-WMLDXEAASA-N 462.381 1.025 50 10 JDGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccncc1 40658958 IAGCIIZDSOIUSS-UHFFFAOYSA-N 478.469 1.588 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3sc(-c4cnccn4)nc3C)cnc2s1 1865845502 TWDVKZFIHWPPIN-UHFFFAOYSA-N 455.525 1.704 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(CCCBr)CC1 2113612377 IQUYYSFYLFZTGP-IBGZPJMESA-N 490.395 1.743 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2ccc(F)c(Br)c2)C1 2240878443 USLBHJJAGVFDGF-PSASIEDQSA-N 451.133 1.427 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cccc(B(O)O)c2Cl)C1 2282301048 CFOPHCBFDDEKEG-GOSISDBHSA-N 487.793 1.871 50 10 JDGE O=C(NCCS(=O)(=O)CCBr)c1csc(I)c1 2299300075 DIRMLMCUBKDNID-UHFFFAOYSA-N 452.133 1.892 50 10 JDGE Cc1ccc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2ccc(C)cc2)cc1 100049333 NBAHNIDFSRKNEO-UHFFFAOYSA-N 456.499 1.226 50 10 JDGE COc1c(Br)cc(Br)cc1-c1nc2cc(C(=O)NN)ccc2c(=O)n1N 953077478 SRAMWSUMJQCBQM-UHFFFAOYSA-N 483.120 1.914 50 10 JDGE C#CCCCC(=O)NNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1456189741 VOHGFIDSVLQRTJ-UHFFFAOYSA-N 458.334 1.035 50 10 JDGE CN1C[C@H](Br)[C@@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1942697323 YSLGUIUTCKZMRA-GJZGRUSLSA-N 458.378 1.306 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@](CO)(NS(=O)(=O)N2CCC(Br)CC2)C1 2133594911 VKDSQJSSTPPVKH-INIZCTEOSA-N 456.403 1.442 50 10 JDGE COc1ccc(/C(C)=N\NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)cc1 27495949 NMGKSPKEMKPKMO-JJFYIABZSA-N 463.414 1.970 50 10 JDGE NCCSSCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 575598678 NTRLNZGKQQWJDZ-BXWFABGCSA-N 491.749 1.845 50 10 JDGE CN1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2046026548 SGHLAOLKLHXVHZ-FZKQIMNGSA-N 476.368 1.352 50 10 JDGE O=C(N1CCC[C@@]2(CN(CCOCCI)CCO2)C1)C(F)(F)F 2306801918 KLPBMWPCYAUDKU-CYBMUJFWSA-N 450.239 1.694 50 10 JDGE CC1(C)S[C@H]2[C@H](NC(=O)C(C#N)=Cc3cccc(Br)c3)C(=O)N2[C@H]1C(=O)O 2329693221 WJXCHGRXCXMTIE-WWGRRREGSA-N 450.314 1.988 50 10 JDGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)/C(C#N)=C(\C)N)C(C)C)c1 23989524 HQDFMHIOAYIUAM-POLXVDLBSA-N 478.571 1.340 50 10 JDGE COc1ccc(C=NNC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)cc1OCC(N)=O 254515415 CJUXIEXSBPKRPD-UHFFFAOYSA-N 452.427 1.476 50 10 JDGE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)cc21 748215800 WEPWKXCBXVMYPJ-KRWDZBQOSA-N 480.340 1.671 50 10 JDGE COc1ccc(CN2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962228 RISLTULMBLLJDG-RTBURBONSA-N 451.527 1.821 50 10 JDGE O=C(NCCS(=O)(=O)CCBr)c1c(F)cccc1I 2335773362 QPKUSZBHXZQLCU-UHFFFAOYSA-N 464.094 1.970 50 10 JDGE O=C(NNc1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-])c1ccccc1Br 40613475 SZXDFGZBYBOLRW-UHFFFAOYSA-N 466.296 1.019 50 10 JDGE O=C(CCCC(=O)NNC(=O)COc1ccc(Cl)cc1)NNC(=O)COc1ccc(Cl)cc1 100049312 NFYDSBORSZZMNH-UHFFFAOYSA-N 497.335 1.916 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Cl)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 575124642 YRXSTYGMBJFQAY-IECFSIQFSA-N 453.831 1.041 50 10 JDGE O=C(CCOc1ccccc1)NNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 729500418 YAFWYUUOWREPCI-QGZVFWFLSA-N 464.519 1.778 50 10 JDGE COc1cc(C=NNc2nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]2)cc(OC)c1OC 1084536177 FQVLGMKTPKMZLI-UHFFFAOYSA-N 465.536 1.562 50 10 JDGE CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(S(=O)(=O)CBr)CC2)c1 1463464501 BDYTVQXTHYXKOH-UHFFFAOYSA-N 459.771 1.531 50 10 JDGE CC(C)/C=C(/C#N)C(=O)N1CCCCOC[C@H](O)[C@H](O)[C@@H](O)CN(C(=O)c2ccc(F)cc2)CC1 1615118960 KBDQXMKBRIBRMO-XEIAMAMFSA-N 491.560 1.096 50 10 JDGE COc1ccc(OC)c(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860770833 YRRPRDPTYZHPNJ-GFCCVEGCSA-N 492.579 1.610 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@@](C)(=O)C[C@@H]1Cl 2057719455 KEUUKASIKGUWBU-OSQOMZQFSA-N 450.856 1.913 50 10 JDGE Cc1cc(B(O)O)ccc1S(=O)(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2247941400 FYYGCDBHEFEKBT-UHFFFAOYSA-N 480.351 1.492 50 10 JDGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CCOCCI 2306802551 PXOVJZYUDJBNHT-UHFFFAOYSA-N 474.361 1.158 50 10 JDGE Cc1ccc(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c(F)c1B(O)O 2381161724 UPBBPPHYYODHNC-KRWDZBQOSA-N 474.294 1.779 50 10 JDGE CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OCCN1CCOCC1 19853006 OIXJSEWHVGOZSI-NRFANRHFSA-N 469.494 1.460 50 10 JDGE Cn1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c2ccccc21 22698899 KMEMWYIHQMZTQH-INIZCTEOSA-N 456.524 1.710 50 10 JDGE Cc1occc1C(=O)NC1CCN(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 728962101 YTFIDKCKJIGKBT-UHFFFAOYSA-N 455.519 1.230 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nccc4sccc34)cc2)CC1 1160807364 MRADOYPNPQMTLC-UHFFFAOYSA-N 459.553 1.906 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 1942903647 HXBABMOGFBBMKJ-VBNZEHGJSA-N 457.346 1.629 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B(O)O)c1 2140550862 OSMTUJOIDWKFAQ-NRFANRHFSA-N 455.364 1.050 50 10 JDGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(Br)o1 13630175 JRDGSVRREZBMIO-VIFPVBQESA-N 455.290 1.319 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(F)c2)c1Cc1ccc([N+](=O)[O-])cc1 254481568 ZUNQHSAIFUZLBL-UHFFFAOYSA-N 451.378 1.635 50 10 JDGE O=C(OCc1ccccc1)N1CCC(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)CC1 2267387573 KSERNCRXVPQANW-UHFFFAOYSA-N 458.754 1.161 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)s1 2268639989 DSXPVQGNPRYECP-KRWDZBQOSA-N 476.360 1.379 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c2C1 2283958135 WCIHWGBSKCBAOE-VGOFRKELSA-N 468.359 1.750 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@H]3CCCO3)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296731288 LHOKHXFDQNQIHG-ZIFCJYIRSA-N 451.527 1.819 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(N)=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2297643072 GFJQQPYCTIQFPJ-QLRSXNLXSA-N 461.559 1.353 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)ccc1OC(C)=O 254346586 OGXHDMKSSZOZAL-UHFFFAOYSA-N 468.455 1.659 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@H]1C[C@H](CBr)CO1 1995957914 PMQHHKMONXLVSC-ZIAGYGMSSA-N 459.362 1.782 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256666912 XHRKKZFQXIMEQO-GOSISDBHSA-N 462.377 1.887 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=C/C=C\c2ccccc2)c1CSC1=NCCS1 254420490 VNHAENMCKQOXQN-KIXJWJDMSA-N 455.529 1.998 50 10 JDGE Cc1cc(Cn2cnc(I)c2I)oc1C(=O)NN 302481199 SHEKRZWMVFEBGJ-UHFFFAOYSA-N 472.024 1.646 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCN2CCO[C@@H](C)C2)cc1 725716899 CBDTZURUXGASKJ-NFBGKYEXSA-N 466.542 1.178 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCCCN3CCCC3)C2)C1 1872960563 DWIKLWJDHVEUSD-VQTJNVASSA-N 456.591 1.488 50 10 JDGE Cc1nc(I)c(I)n1C[C@H]1CCC[C@@H](C(=O)NN)O1 1879471928 ILZGUOOZMWRRCX-SFYZADRCSA-N 490.083 1.328 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 2185508407 GDAQLIQFUSXNNG-DLBZAZTESA-N 455.378 1.969 50 10 JDGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(F)c(B(O)O)c1 2255750248 HCAMXSJCAQHVGY-UHFFFAOYSA-N 456.348 1.876 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@@H](CBr)O2)C1 2336882961 UCFYHVDKGWAEQI-UGSOOPFHSA-N 489.363 1.969 50 10 JDGE C[C@H](Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)C(=O)NNC(=O)C1CCC1 253577203 WTXFTRZCXOAQSJ-ZBPACCJBSA-N 477.463 1.495 50 10 JDGE CC(=O)N1C[C@H]2[C@@H](NC(=O)NNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)CCC[C@H]2C1 1564879059 SZDMYNVXXXLGKV-IPELMVKDSA-N 454.531 1.568 50 10 JDGE CC(C)(C)OC(=O)NCC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCO1 2119486160 BZZNHLFWLXAEEL-AWEZNQCLSA-N 456.403 1.706 50 10 JDGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2248893034 JIYCXEUHQCWCHG-LJQANCHMSA-N 480.355 1.532 50 10 JDGE Cc1nc(NC(=O)CCCNC(=O)OCC2c3ccccc3-c3ccccc32)ncc1B(O)O 2248899510 NDFWDJDUWAPPMU-UHFFFAOYSA-N 460.299 1.722 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(Cl)cc(B(O)O)c2)CCN1C(=O)OC(C)(C)C 2267365012 IYMWNPGOEWNBHG-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B(O)O)c1 2268646014 IABFZTWUPKPNSU-DYESRHJHSA-N 456.348 1.823 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCc3ccc(B(O)O)cc32)C1 2284136481 CPEXUXCKXQQTNZ-UHFFFAOYSA-N 466.343 1.709 50 10 JDGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630293 QPQCHEHAKNRIOR-HNNXBMFYSA-N 474.539 1.379 50 10 JDGE CO[C@@H]1C[C@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046029914 UMCCTHKZXSZFIB-VFVRVIDISA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)N1CC(N2CCN(S(=O)(=O)N3CCC(Br)CC3)CC2)C1 2163053643 PCXDMXRVTZYMPY-UHFFFAOYSA-N 467.430 1.327 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(B(O)O)c(F)c2)C1 2267616885 AORXFZLQRVTASK-UHFFFAOYSA-N 480.323 1.247 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268653423 MUNNNQDRQQQOAM-QRWLVFNGSA-N 458.320 1.812 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C 14645297 OBFUYEMMZRUZDT-UHFFFAOYSA-N 476.349 1.128 50 10 JDGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1 726276531 AYVKVGPSPOPWRZ-JOCHJYFZSA-N 485.610 1.370 50 10 JDGE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 726497676 IJHYVBUKTLSFSH-UHFFFAOYSA-N 458.496 1.095 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)[C@@H](Br)C1 1883435077 UGWANQRTQGGXML-RYUDHWBXSA-N 466.151 1.455 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCOC[C@@H](CBr)C1 1948823670 QFYNSIBNQNKSQQ-AWEZNQCLSA-N 459.362 1.736 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 2243685284 QXBZGVNHDCYCFF-AWEZNQCLSA-N 465.340 1.881 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@H]2CCN(S(C)(=O)=O)C2)C1 2244066950 RPMYJMUBVLCHRW-SRVKXCTJSA-N 460.334 1.460 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cccc(B(O)O)c2F)CCN(Cc2ccccc2)C1 2268632712 MXMQCHKYCWQKPK-QHCPKHFHSA-N 457.311 1.613 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCCc2ccc(B(O)O)cc21 2268719653 IKEGRJYZHCZVLU-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE Cc1ccc(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(F)c1B(O)O 2352964380 IEDRDQUVWSTARM-GOSISDBHSA-N 459.327 1.778 50 10 JDGE O=C(OC[C@@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@@H](Br)[C@H]1O)c1ccccc1 2130873 LMIWARFCLUPCMT-MNXVOIDGSA-N 490.104 1.178 50 10 JDGE biogenic C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3cc(Cl)ccc3OC)cc2C1=O 9701717 CSSUWVLYCGJISJ-UHFFFAOYSA-N 471.853 1.749 50 10 JDGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccc(Br)cc3)c2N)CC1 40784567 FZIPCJOBRZVILX-UHFFFAOYSA-N 464.324 1.857 50 10 JDGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(S(=O)(=O)O)c1 216962499 INYJZRKZFMRKRT-NXVVXOECSA-N 476.536 1.286 50 10 JDGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc(N(C)C)cc2)nnn1-c1nonc1N 254573053 YSFNNVZVBIIIKD-AWEZNQCLSA-N 452.523 1.437 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2cccnc2)cc1)NCCc1ccccc1 1084330140 HHEUWPWUAPNGTM-UHFFFAOYSA-N 459.506 1.586 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1sccc1I 2008520984 GMPUXWFMPDORJN-FSPLSTOPSA-N 450.117 1.643 50 10 JDGE O=C(Nc1cc(I)cc(I)c1)c1ccccc1B(O)O 2199700840 SNHPGMQTFFOSLA-UHFFFAOYSA-N 492.847 1.828 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@H]1CC[C@@H](CBr)CO1 2246564151 VYBMXYAQNLNYRF-UONOGXRCSA-N 459.362 1.782 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268653424 MUNNNQDRQQQOAM-YWZLYKJASA-N 458.320 1.812 50 10 JDGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NC[C@@H]1CCCO1 2318469941 ZRJANVDFYQHLOC-HNNXBMFYSA-N 454.936 1.475 50 10 JDGE CC(=O)O[C@@H]1C=COC=C2C[C@@]34SS[C@@]5(CC6=COC=C[C@H](O)[C@@H]6N5C3=O)C(=O)N4[C@H]21 100520828 HXWOWBFXYUFFKS-XVSWOPEYSA-N 462.505 1.138 50 10 JDGE in-man CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@]3(C)C[C@@H]3Br)cc2)CC1 1618622863 PBAGMMKPPMIUQD-FUHWJXTLSA-N 458.378 1.443 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCI 1954817476 OTICIKAEPBXWEQ-AWEZNQCLSA-N 454.261 1.365 50 10 JDGE CN(CCOCCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543846 OCXMXXGXJKLGOS-QGZVFWFLSA-N 465.341 1.684 50 10 JDGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCCc1cccc(B(O)O)c1 2248913496 HMGZWXGAOCRKEW-UHFFFAOYSA-N 458.323 1.954 50 10 JDGE Cc1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(B(O)O)s1 2255773945 IDHXRBGCVFSZKZ-UHFFFAOYSA-N 471.385 1.228 50 10 JDGE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(B(O)O)c1 2268654805 DTVQOLISNJMRCN-FOIQADDNSA-N 458.320 1.812 50 10 JDGE O=C(NC1CC(NS(=O)(=O)c2c(Cl)cc(B(O)O)cc2Cl)C1)OCc1ccccc1 2282421077 JLOIXFWPNWABGJ-UHFFFAOYSA-N 473.143 1.409 50 10 JDGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3nn(C(C)C)c(=O)c4ccccc34)cc2C1=O 14889757 DJLDYXSNTBLILU-UHFFFAOYSA-N 459.462 1.834 50 10 JDGE COc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1 254479958 YFFIDNHZKDTGPL-UHFFFAOYSA-N 453.507 1.770 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc(OC)c1O 254498301 ADRVDTIVFVYAHN-UHFFFAOYSA-N 464.442 1.695 50 10 JDGE COC(=O)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777308 FANCUXLWDIHERT-SJORKVTESA-N 465.510 1.603 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1COC[C@H]1Br 1948499958 BAFFUNVXCHMZMP-IUODEOHRSA-N 459.362 1.638 50 10 JDGE C[C@H](Br)CN1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2003874410 HSRYRMOGWWPIPD-AWEZNQCLSA-N 458.378 1.404 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 2040419765 LANCGODCGYZJLX-TXEJJXNPSA-N 455.920 1.620 50 10 JDGE CN1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 2106763210 BQJWVHHEGPAJDR-CQSZACIVSA-N 455.419 1.231 50 10 JDGE Cc1cccc(B(O)O)c1C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2281743969 QCLRRBFPSLJGBF-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284058833 BSEMAGXUKYPOOA-HJPURHCSSA-N 488.419 1.512 50 10 JDGE COc1ccc(C(=O)NNC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)c(OC)c1 731230777 SZGFMRGHRNCMAM-UHFFFAOYSA-N 457.512 1.921 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccnc1)C=2C(=O)Nc1ccc(C)c(C)c1 1080323693 LAZYCOLGPFHURT-FQEVSTJZSA-N 487.541 1.113 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=S)N[C@@H](C)C2CC2)cc1 1628056007 NZRDUQWCERBKKK-SCLBCKFNSA-N 452.602 1.726 50 10 JDGE CCn1cc(B(O)O)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2281744147 SNYXFWVVNDBRLO-HXUWFJFHSA-N 470.379 1.039 50 10 JDGE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2282372919 FWFPINRHAISPSR-IAGOWNOFSA-N 452.725 1.098 50 10 JDGE CC1=CC(=O)/C(=C(\C)NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)O1 103263757 WMZSKTGMMRHYEM-AQTBWJFISA-N 467.931 1.665 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccnc1)C=2C(=O)Nc1ccc(C)c(C)c1 199503758 LAZYCOLGPFHURT-ACEGTKJHSA-N 487.541 1.113 50 10 JDGE CC(COc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O 254417005 OEKSEWFNVTUWCS-UHFFFAOYSA-N 490.484 1.128 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Cl)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 256072915 YRXSTYGMBJFQAY-RZFLPCETSA-N 453.831 1.041 50 10 JDGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 921059153 SZFVLCIFBSVIOA-AWEZNQCLSA-N 454.555 1.231 50 10 JDGE CC(=O)N1CC[C@](C)(C(=O)NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C1 1540502314 SWAALPBYMDMJII-IBGZPJMESA-N 450.542 1.568 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)[C@@H](C)N4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860769765 HEQVKRWMMOPJSS-QWHCGFSZSA-N 493.545 1.415 50 10 JDGE C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1nscc1B(O)O 2268633113 QGQGRLAYQIILFJ-OYHNWAKOSA-N 474.392 1.170 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2cc(B(O)O)ccc21 2268718233 PSFJGSHOIWLJKM-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1B(O)O 2283970338 TVNMEZAONPTVGI-INIZCTEOSA-N 478.257 1.610 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284060294 ZMNPKARQYPYZBR-DEOSSOPVSA-N 469.347 1.483 50 10 JDGE CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)c3cc(Br)cn3C)cc2[N+](=O)[O-])CC1 12393516 RYAYHTDERUQBBO-UHFFFAOYSA-N 493.318 1.439 50 10 JDGE N#C/C(=C/NCCN1CCNCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216494753 ZWKJHUGJGJRJBA-LVWGJNHUSA-N 458.610 1.822 50 10 JDGE C/C(=C/c1ccncc1)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1530380274 MKPHKWDDHRHQIU-MSUUIHNZSA-N 458.540 1.286 50 10 JDGE OB(O)c1ccc(Br)c(I)c1I 2059979962 LCVSRZFQPDXURS-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE C[C@H](NC(=O)OC(C)(C)C)c1nc(NS(=O)(=O)N2CCC(Br)CC2)n[nH]1 2130121570 PVIHDIHRGPDBHJ-VIFPVBQESA-N 453.363 1.906 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2cccc(B(O)O)n2)C1 2268650020 MGLQRMSERMBUQP-HSZRJFAPSA-N 455.320 1.544 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc2C1 2283957394 PHWVNJAYOCHGDM-VGOFRKELSA-N 468.359 1.750 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(Cl)cc2B(O)O)C1 2287640291 SCFLQIFZPCZVBN-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccc2c(c1)OCO2 2324868603 KDCUMTKUOXHWPZ-UHFFFAOYSA-N 454.508 1.445 50 10 JDGE CCOC(=O)C1=c2s/c(=C/c3ccc(O)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(O)cc1 32939105 PRNGWPHJMXIJDB-MVDPLZLPSA-N 461.499 1.312 50 10 JDGE C/C(COc1ccccc1)=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 33527271 KJMZRFBELZLAJU-UUYOSTAYSA-N 463.414 1.992 50 10 JDGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[S@](=O)CC(=O)NNC(C)=O 586297071 LIFQDJQCYXUEJK-PMERELPUSA-N 451.526 1.446 50 10 JDGE O=S(=O)(CCCl)Nc1c(I)ncnc1I 1253451061 JXFNXNAUZNPGMN-UHFFFAOYSA-N 473.461 1.666 50 10 JDGE C=C(C)C[C@@H](NC(C)=O)C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1628561593 KVOQNAQLVDRMAX-HXUWFJFHSA-N 458.540 1.397 50 10 JDGE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106304938 KHEFPGPYTBTPTJ-KBPBESRZSA-N 456.403 1.705 50 10 JDGE OB(O)c1ccnc(Nc2cc(I)cc(I)c2)c1F 2231650240 JTFHLBGKOOJDIO-UHFFFAOYSA-N 483.815 1.853 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)[C@H](C(F)(F)F)C1 2240344037 AZPCQPUXWZDNLM-NSHDSACASA-N 454.052 1.512 50 10 JDGE O=c1nc(O)c(Br)cn1[C@@H]1O[C@H](CI)[C@@H](O)C1(F)F 725445597 HRTBZHXMPBZXAE-WYDQCIBASA-N 452.977 1.040 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CNC(=O)c4ccccc4)c(=O)c23)C1 1860769607 AJELXGBXZZJXBQ-ZDUSSCGKSA-N 453.524 1.160 50 10 JDGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3ccc(Br)cc3)c(=O)c2c1C 1860770773 WXDXOCMNYWQBTR-UHFFFAOYSA-N 471.358 1.847 50 10 JDGE Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Br)ccc1I 2142116447 JLHYMLALFGKFIW-MWLCHTKSSA-N 458.115 1.890 50 10 JDGE CC(C)(C)OC(=O)NC1CN(C2CCN(S(=O)(=O)CI)CC2)C1 2210301594 SRWWSMWOUPEKPQ-UHFFFAOYSA-N 459.350 1.382 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)NCC1CC(Br)C1)NC(=O)OCc1ccccc1 2249438428 LOHBOWLYQLVCLY-YMAMQOFZSA-N 463.350 1.547 50 10 JDGE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)ccc1B(O)O 2266958731 FWWMGPSOKXXQNI-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNNC(=O)c1ccccc1O 2297059976 VAIULGVDMMVOPG-UHFFFAOYSA-N 492.229 1.398 50 10 JDGE CC(C)(C)C(=O)NNC(=O)CSc1nnc(N/N=C/c2c(O)ccc3ccccc23)n1N 20917040 XIDFXFJKVQAAOE-LSHDLFTRSA-N 456.532 1.582 50 10 JDGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCc2ccccc2)cc1)NC[C@H]1CCCO1 1084478307 ZJJKZOWCHMEPNY-OAQYLSRUSA-N 452.511 1.517 50 10 JDGE CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)ccc21 1858082339 ZPMRFSSGQZSPQY-UHFFFAOYSA-N 481.575 1.441 50 10 JDGE CN(C)C[C@H](Br)CN(C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942099236 SPZSFTOOLPNOBT-AWEZNQCLSA-N 460.394 1.650 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2256621274 SDJRWTDXENDEPE-GUYCJALGSA-N 463.727 1.852 50 10 JDGE CC[C@]1(NS(=O)(=O)c2ccc(B(O)O)s2)CCCN(C(=O)OCc2ccccc2)C1 2282709767 ZJFOTUPXHMBSTH-IBGZPJMESA-N 452.363 1.288 50 10 JDGE C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1ccc(B(O)O)cc1 2284055440 TVQIUQKMBOPYFF-CJAUYULYSA-N 467.375 1.713 50 10 JDGE CC(=O)NNC(=O)CSc1nnc(NN=C(Cc2ccccc2)Cc2ccccc2)n1N 20919266 JJRQRGFIVGONGE-UHFFFAOYSA-N 452.544 1.505 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1-c1ccccc1 254577944 TUOVHEHPOJDPKM-UHFFFAOYSA-N 464.358 1.480 50 10 JDGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749112498 GCLDKDCOGMSBIT-PBHICJAKSA-N 467.569 1.915 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 2040419764 LANCGODCGYZJLX-RYUDHWBXSA-N 455.920 1.620 50 10 JDGE O=S(=O)(Cc1ccsc1B(O)O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2267718663 WILYTVPRWBJQJR-UHFFFAOYSA-N 486.424 1.319 50 10 JDGE CCCn1cc(B(O)O)cc1C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2282257504 TYAOGTVTNNTDMN-UHFFFAOYSA-N 482.387 1.070 50 10 JDGE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCOCCOCCOCCBr 35636568 BBAOPWJWXDYKOL-YQQAZPJKSA-N 482.441 1.273 50 10 JDGE in-vitro CC(=O)Nc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 263627507 IPBSMONBWIHSJP-UHFFFAOYSA-N 476.413 1.530 50 10 JDGE O=C(NN=Cc1ccc2ccccc2n1)[C@@H](O)[C@@H](O)C(=O)NN=Cc1ccc2ccccc2n1 1084568200 CXBFGFJKXOHMCE-SZPZYZBQSA-N 456.462 1.105 50 10 JDGE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)sc1B(O)O 2256621168 RDQXLTSQQXHKAS-YJBOKZPZSA-N 462.377 1.851 50 10 JDGE CN([C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2282372920 FWFPINRHAISPSR-IRXDYDNUSA-N 452.725 1.098 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCCc1c(F)cccc1B(O)O 2289644198 DXSCYPWDMYBPQE-SFHVURJKSA-N 474.338 1.664 50 10 JDGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296718430 BSFQJKYETXNHQK-OAHLLOKOSA-N 468.466 1.836 50 10 JDGE CN1CCN(CN2C(=O)C(=NNC(=O)c3ccccn3)c3cc(Br)ccc32)CC1 254735459 FQFMMWNIGWGJLG-UHFFFAOYSA-N 457.332 1.530 50 10 JDGE CCN(CC(=O)N(C)C)C(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(OC)cc1 729425151 GCURBBJFBUILDZ-ATVHPVEESA-N 452.515 1.278 50 10 JDGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/NC(=O)Cn1c(O)nc2ccccc2c1=O 1873794122 VDBSRDLNBIBWNM-YSURURNPSA-N 479.449 1.538 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNc1cncc(Br)c1)c1ccc(S(C)(=O)=O)cc1 1633091661 VIZBVQZLTXBWSZ-KRWDZBQOSA-N 455.334 1.742 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(F)c(B(O)O)c2)C1 2281686103 CCEKHNHMTVNCMI-LJQANCHMSA-N 471.338 1.357 50 10 JDGE O=S(=O)(Cc1cccc(B(O)O)c1)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2282352608 BBYWSHUDNXENGJ-UHFFFAOYSA-N 480.395 1.257 50 10 JDGE O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)NCCCN1CCCS1(=O)=O 726276963 RVWKJGBOLJJEBB-UHFFFAOYSA-N 467.375 1.908 50 10 JDGE CCC/C(C)=C/C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 920283994 BIWANWKONKJMES-FOWTUZBSSA-N 452.515 1.322 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c1 1644011807 QPEFSTHLDCEPQO-UHFFFAOYSA-N 451.552 1.940 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCC4(CC3)OCCO4)C2)C1 1872961879 NCPMKVBCJUIEBR-MSOLQXFVSA-N 471.558 1.298 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@H](Br)CBr 1953716228 ALELUMRVHNOVEB-SECBINFHSA-N 454.140 1.360 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)NCc1sc(Cl)cc1B(O)O 2303775914 DAKOXULEOSILJF-OAHLLOKOSA-N 468.768 1.808 50 10 JDGE COc1cc(C=NNC(=O)CCNc2nnc(O)nc2O)ccc1OCc1ccccc1F 2323190425 YYVJWNWMHJILJH-UHFFFAOYSA-N 456.434 1.962 50 10 JDGE Cc1cc(I)ccc1NC(=O)C(C#N)=CN1CCN(S(C)(=O)=O)CC1 2325417753 FGQXQLTUPOXVJO-UHFFFAOYSA-N 474.324 1.523 50 10 JDGE NNC(=O)[C@@H](c1ccccc1)n1cnc(I)c1I 385458974 GOYQXPWJYAXZDP-MRVPVSSYSA-N 468.036 1.672 50 10 JDGE C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)CS2 912643201 IFIUOONRMICKLT-JXFKEZNVSA-N 466.585 1.076 50 10 JDGE C#Cc1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)c1 1538622345 CNDYZOSZOVBKAI-UHFFFAOYSA-N 450.476 1.947 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2162589637 SEXUPVOPNORLBF-XGUBFFRZSA-N 468.414 1.751 50 10 JDGE Cc1ccc(B(O)O)cc1C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2287639053 OPTHWRLNSVTCKD-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@@H](CCl)[C@H](I)CCl)CC1 2295784196 HRUZACOLGQBTLF-MNOVXSKESA-N 459.177 1.924 50 10 JDGE COc1ccc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1B(O)O 2296191601 ZXZBMZFRQVBDMP-UHFFFAOYSA-N 471.363 1.018 50 10 JDGE CC(C)[C@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)O 2324990296 GWKYGORHESZQLS-KRWDZBQOSA-N 470.935 1.406 50 10 JDGE CC1=N[C@@]2(C(C)=NNC(N)=O)[C@@H](C[C@@H]3[C@H]4CCC5=CC(=NNC(N)=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]32C)O1 1083142879 PAELSKDZRPCXOH-AMDIRGSESA-N 497.600 1.930 50 10 JDGE O=C(NC1(C(=O)NCc2ncc(B(O)O)s2)CC1)OCC1c2ccccc2-c2ccccc21 1902375268 SLERUFQMYJUTCP-UHFFFAOYSA-N 463.324 1.510 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1c(F)cc(F)cc1B(O)O)OCc1ccccc1 2267622413 QMWLZSFDNHXYCH-UHFFFAOYSA-N 486.302 1.292 50 10 JDGE O=C(c1cc(I)cc(I)c1O)N1CC[C@H](B(O)O)C1 2342480351 NZYWJZUWFKVJGU-LURJTMIESA-N 486.840 1.290 50 10 JDGE O=C(CCC(=O)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)NCc1ccccc1 12502263 KQZWNIFMFDSHFT-UHFFFAOYSA-N 474.455 1.235 50 10 JDGE CC(C)(CCl)C(=O)N1CCC(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169887059 KYZKASPPGALPIZ-UHFFFAOYSA-N 450.879 1.563 50 10 JDGE CN(C)Cc1c(C(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)nnn1-c1nonc1N 254764158 BYFXZSJFKNLVKP-UHFFFAOYSA-N 479.476 1.776 50 10 JDGE O=C(NN=C1C[C@H](N2C(=O)c3ccccc3C2=O)[C@H]2CO[C@@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254818730 FJURCDYCERCTFV-CSODHUTKSA-N 481.377 1.399 50 10 JDGE NNC(=O)[C@H](Cn1cnc(I)c1I)c1ccccc1 311637473 WUXHDADHZBCPGB-SECBINFHSA-N 482.063 1.866 50 10 JDGE Nn1c(SCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1083965118 FCNWAIOLFGSLMZ-UHFFFAOYSA-N 487.414 1.626 50 10 JDGE Cn1nc(Br)cc1S(=O)(=O)N1C[C@@H](Br)[C@H](Br)C1 1910006981 MCAHCAYCCFNBGJ-PHDIDXHHSA-N 451.966 1.714 50 10 JDGE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NS(=O)(=O)N2CCC(Br)CC2)n[nH]1 2130121569 PVIHDIHRGPDBHJ-SECBINFHSA-N 453.363 1.906 50 10 JDGE Cc1cc(B(O)O)c(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)s1 2255778360 QHPZQBZEDOOXBG-UHFFFAOYSA-N 471.385 1.228 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2260670031 UAHADXVHSSYQBS-GRDNDAEWSA-N 471.373 1.877 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(F)ccc2B(O)O)C1 2266935908 CBXCRYMFHGDTLB-UHFFFAOYSA-N 458.295 1.130 50 10 JDGE CN(Cc1cccc(B(O)O)c1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268709248 CAGRDMOZTNNDEJ-OAQYLSRUSA-N 456.348 1.825 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2cc(B(O)O)ccc2C1 2283937369 USVJWGSFJRNODC-QFIPXVFZSA-N 468.359 1.751 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cccc(B(O)O)c21 2283966723 YCFCAMSVPTYJSN-OAQYLSRUSA-N 467.375 1.671 50 10 JDGE NC(=O)COc1ccc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1 1084339366 FOSVZKLTXJEARV-UHFFFAOYSA-N 470.507 1.485 50 10 JDGE C=C[C@H](CC)CC(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 1290580547 LZGYLALADXJHDS-MRXNPFEDSA-N 452.515 1.178 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3cccc(F)c3F)ccc2F)CC1 1446404055 ANOVHIMNPOUXBS-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(B(O)O)c(F)c1)OCc1ccccc1 2255756030 YQBUFEGTLKDYDZ-UHFFFAOYSA-N 468.312 1.153 50 10 JDGE Cc1cccc(B(O)O)c1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2267333745 RARXYUGVQYFQIF-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)cc1B(O)O 2267334797 YXABGJFUNUOVIB-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE CC(C)OCCCNC(=O)/C(C#N)=C/c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O 34990586 UZRCFFXYLXDBIA-KNTRCKAVSA-N 481.553 1.876 50 10 JDGE COCCNC(=O)/C(C#N)=C1/N=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 102673620 QXCDEOCGUJPBQP-LVZFUZTISA-N 464.478 1.900 50 10 JDGE Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ncccc3OCC(=O)NN)cc2)c1C 1858836041 BYIZNHIORLXCAV-UHFFFAOYSA-N 475.487 1.500 50 10 JDGE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 2046027411 BLWAJAINURTMFF-VFVRVIDISA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)NC[C@]12CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]1CCO2 2175190806 TWSKTQANVWKMKO-DYVFJYSZSA-N 468.414 1.706 50 10 JDGE CC(C)(C)OC(=O)N(CCNC(=O)c1cc(F)c(B(O)O)cc1F)OCc1ccccc1 2255883894 OOKHLEWPUZNFLP-UHFFFAOYSA-N 450.247 1.743 50 10 JDGE Cc1csc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1B(O)O 2256620651 KVPHUOQBOJJEQU-KXBFYZLASA-N 462.377 1.851 50 10 JDGE C=C1CC(C)(C(=O)NNC(=O)C[C@H]2c3cc(OC)c(OC)cc3CCN2S(C)(=O)=O)C1 1472478100 AXHOOAKIAXDZRR-INIZCTEOSA-N 451.545 1.456 50 10 JDGE O=C(NC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CCC2)C(F)(F)F 2174054674 WBIIRGZQRYRUSB-LLVKDONJSA-N 462.332 1.871 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Br)c1Br 2177842119 AIWDNJDAPVKABM-SFYZADRCSA-N 467.226 1.966 50 10 JDGE Cc1nc(I)c(I)n1CC1(C(=O)NN)CCCC1 2223134298 DPKJLJAPELVOAD-UHFFFAOYSA-N 474.084 1.951 50 10 JDGE CCn1ncc(B(O)O)c1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2255588847 HVMWXSLNSMXWIB-UHFFFAOYSA-N 478.314 1.173 50 10 JDGE CN(Cc1sccc1B(O)O)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256673491 SPFVFOJINZUNQX-QGZVFWFLSA-N 462.377 1.887 50 10 JDGE Cc1cc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)oc1B(O)O 2267361333 ACROPVIYRUFBIO-SFHVURJKSA-N 457.336 1.119 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B(O)O)ccc1F 2282235607 XXBPSCXECSGGDC-UHFFFAOYSA-N 483.346 1.434 50 10 JDGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 13623413 IBCLFWGHMLNOKY-SXAWMYDMSA-N 482.562 1.788 50 10 JDGE CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(C#CCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1O 201078458 GQHDZQALXUNICK-RRFJBIMHSA-N 491.539 1.237 50 10 JDGE Cc1[nH]c(C(=O)NN=Cc2ccc(O)cc2O)c(C)c1C(=O)NN=Cc1ccc(O)cc1O 254629264 HFGRSAGTYKHQAR-UHFFFAOYSA-N 451.439 1.982 50 10 JDGE O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 728209413 CSHGAVQLEQZMBS-QGZVFWFLSA-N 484.625 1.875 50 10 JDGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2ccccn2)c(OC)c1 1084103727 JFSIKMSTALGYKI-NRFANRHFSA-N 467.482 1.810 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C1 1872962023 OJBDVNLQMACPMD-RBUKOAKNSA-N 453.518 1.994 50 10 JDGE O=S1(=O)CC[C@H](C(CBr)(CBr)C[C@H]2CCS(=O)(=O)N2)C1 2146191175 JAYNMMNDPXISIG-VHSXEESVSA-N 453.218 1.279 50 10 JDGE Cc1cccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1B(O)O 2281745749 QRELTYHPRPHUFA-FQEVSTJZSA-N 467.375 1.526 50 10 JDGE CN(Cc1ccccc1B(O)O)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283986009 BSNSXMIQLBUPLU-FQEVSTJZSA-N 470.331 1.352 50 10 JDGE COc1ccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(B(O)O)c1 2284055829 ZWXOOSKACOGCJU-XMMPIXPASA-N 469.347 1.483 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNc2ccc(B(O)O)cc2C#N)C1 2339294168 VXWXSUXZAWSHBP-OAQYLSRUSA-N 450.348 1.771 50 10 JDGE CN1CCN(CN2C(=O)C(=NNC(=O)CSc3nc4ccccc4o3)c3ccccc32)CC1 254519889 FTKWIHDGQCTISL-UHFFFAOYSA-N 464.551 1.992 50 10 JDGE NNC(=O)c1occc1Cn1cnc(I)c1I 310290749 IZBNZLOGKPSSHE-UHFFFAOYSA-N 457.997 1.337 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNc2ccccc2S(=O)(=O)N(C)C)cc1F 1625668591 NLRGVDYMOCQONO-UHFFFAOYSA-N 457.505 1.196 50 10 JDGE COC1(CCNS(=O)(=O)CI)CN(C(=O)OCc2ccccc2)C1 1884480315 VNWSQANWBGFNLB-UHFFFAOYSA-N 468.313 1.726 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CNS(=O)(=O)CI)C2)C1 1983329108 GJMOBSWZZDAEOH-SMDDNHRTSA-N 460.334 1.714 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COCC[C@H]1Br 2000546297 ZICXZLDAOPPOPA-CPUCHLNUSA-N 463.325 1.483 50 10 JDGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249456664 NBRPTNYSCGCHEH-ZNMIVQPWSA-N 463.350 1.801 50 10 JDGE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCSSCCNC(=O)OC(C)(C)C 2267579936 ADNCUIIRCALFOV-UHFFFAOYSA-N 487.457 1.750 50 10 JDGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268646837 VMUWMDSTYVMYNP-VQIMIIECSA-N 475.420 1.973 50 10 JDGE Cc1ccc(B(O)O)cc1S(=O)(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2282736381 PJKPYNKFRZYGAR-UHFFFAOYSA-N 480.395 1.425 50 10 JDGE CC1CCN(Cc2c(C(=O)N/N=C/c3cc(Cl)ccc3O)nnn2-c2nonc2N)CC1 3633224 GADJZTQXTAHQQO-LSFURLLWSA-N 459.898 1.587 50 10 JDGE COc1ccc(OC)c(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)c1 59816933 RJJSSSZOPYLCEA-SRZZPIQSSA-N 455.500 1.821 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Cl)[C@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 256072911 YRXSTYGMBJFQAY-ADHGMGHFSA-N 453.831 1.041 50 10 JDGE CN(CCC(CBr)(CBr)[C@H]1CCS(=O)(=O)C1)S(C)(=O)=O 706392794 BNEJEQTUUUGJDJ-JTQLQIEISA-N 455.234 1.479 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1C 1080323731 UISUGLRUQUGFLW-IBGZPJMESA-N 492.582 1.779 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC[C@@H]1CBr 1942681731 RBSNACXVBZNQDV-WFASDCNBSA-N 459.362 1.638 50 10 JDGE OB(O)c1ccc(I)c(Br)c1I 2059979817 ADCAXFWAJAMLIV-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@](C)(CO)C1 2106768575 SJMLDSXNPPBIMA-MRXNPFEDSA-N 456.403 1.394 50 10 JDGE O=S1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2ccc(Br)cc2F)C1 2177842071 ABRVNZWCLOQOCO-IONNQARKSA-N 451.133 1.427 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)[C@@H](CC(F)F)C1 2240341479 MEWWTUXVQMZKON-NSHDSACASA-N 450.089 1.605 50 10 JDGE C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2283968024 IHZVTNSJMCPEPT-UZLBHIALSA-N 470.331 1.570 50 10 JDGE Cc1scc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1B(O)O 2343510389 XBPGPAYATXPZPL-GOSISDBHSA-N 473.404 1.588 50 10 JDGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)cc2C1=O 12699391 NGTDBEWSAXDHCP-UHFFFAOYSA-N 455.496 1.145 50 10 JDGE O=C(NN=C1C[C@H](N2C(=O)c3ccccc3C2=O)[C@H]2CO[C@H]1O2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 254397592 FJURCDYCERCTFV-FVJLSDCUSA-N 481.377 1.399 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3ccc(F)c(F)c3F)cc2)CC1 727758461 FVFVISIHGKDESE-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1COC[C@@H]1Br 1948499960 BAFFUNVXCHMZMP-WFASDCNBSA-N 459.362 1.638 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2scc(B(O)O)c2Cl)C1 2266987603 COMXCULBKVQFHM-INIZCTEOSA-N 493.822 1.933 50 10 JDGE Cn1cc(C(=O)NNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c2ccccc21 10736767 MVTVFNSEUDUIJH-UHFFFAOYSA-N 455.268 1.998 50 10 JDGE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 15823867 OHJIFKCKIFSPFB-UHFFFAOYSA-N 472.523 1.283 50 10 JDGE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NNC(=O)c3ccc(Cl)cc3)n2N)cn1 20924172 XDVNHSDJRRPRJH-QPSGOUHRSA-N 476.954 1.422 50 10 JDGE NNC(=O)c1cccc(Cn2cnc(I)c2I)n1 310699372 FDYZUCQMOXAYOO-UHFFFAOYSA-N 469.024 1.139 50 10 JDGE C=CCNC(=O)CN1CCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)CC1 919976109 ABTKVNZIKFBHRB-LTGZKZEYSA-N 457.538 1.817 50 10 JDGE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NNC(=O)c1ccc(C#N)cc1 1651708450 CIZLLPIOIWXJQD-UHFFFAOYSA-N 453.572 1.917 50 10 JDGE O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1cccnc1 1858002227 SEYHMPBCXAFWLP-UHFFFAOYSA-N 467.345 1.706 50 10 JDGE CN(C)c1cccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961577 MCEGJGUJMDINDO-MSOLQXFVSA-N 450.543 1.882 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)cn2)C1 2268667364 XUQDUXYSGRELIW-QHCPKHFHSA-N 455.320 1.544 50 10 JDGE C[C@@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1nscc1B(O)O 2268794398 RNPQJWJFDYVRIB-OAHLLOKOSA-N 475.376 1.454 50 10 JDGE O=C(OCc1ccccc1)N1CCC(NS(=O)(=O)c2ccc(B(O)O)cc2Cl)CC1 2282361075 MDHIOJGEWCCVJP-UHFFFAOYSA-N 452.725 1.099 50 10 JDGE O=C(CNC(=O)c1ccccc1O)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100456315 ZIFDGBDQAAQVLZ-WEMUOSSPSA-N 472.457 1.918 50 10 JDGE Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(F)cc2NC(=O)c2ccoc2)n1 728730093 ZKISVVJMOTUEKD-UHFFFAOYSA-N 460.443 1.983 50 10 JDGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)CI)C1 1881744052 DLKHUERXEKTUCC-ZDUSSCGKSA-N 454.286 1.336 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@@H]1COC[C@H]1Br 1948499856 AIXLVSFQOJCAQP-CZUORRHYSA-N 459.362 1.782 50 10 JDGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Br 2121367148 FRWPMLPNEFFXRQ-NKWVEPMBSA-N 453.199 1.658 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1ccc(B(O)O)cc1 2140565653 BSWMDYFJAZRSFW-IBGZPJMESA-N 456.304 1.009 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(F)cc1B(O)O)OCc1ccccc1 2255888259 MYZASUOAFLZLEM-UHFFFAOYSA-N 468.312 1.153 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B(O)O)cc2C1 2268633219 BBMLBOKAUQFXGE-YWZLYKJASA-N 474.388 1.811 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(S(=O)(=O)CI)C2 2007723516 WNSUNYNYQNHCOM-AWEZNQCLSA-N 476.333 1.047 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCOC[C@H]1CBr 2017829797 JQHVITYCAJWOAN-CZUORRHYSA-N 459.362 1.782 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ncsc2B(O)O)CCN(Cc2ccccc2)CC1 2267315018 NHPZDKCRHIZERY-UHFFFAOYSA-N 474.392 1.112 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ncc(B(O)O)cc2F)CCN(Cc2ccccc2)C1 2268634526 IRRRMCYRIQVLMB-JOCHJYFZSA-N 458.299 1.008 50 10 JDGE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1c(Cl)cccc1B(O)O 2282731582 SKNXEVFHUANOHK-HNNXBMFYSA-N 452.725 1.051 50 10 JDGE NNC(=O)[C@H]1C[C@@H]1CCCn1cnc(I)c1I 2300383220 LBZMVGCIOAGTSA-BQBZGAKWSA-N 460.057 1.499 50 10 JDGE COc1cc(CC(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C(=O)O)c([N+](=O)[O-])cc1OC 1088727822 IIOHJLQATICNOJ-ISZNXKAUSA-N 459.455 1.771 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNc1cccc(Br)n1)c1ccc(S(C)(=O)=O)cc1 1637333087 NXKBGLBLRUFBMP-KRWDZBQOSA-N 455.334 1.742 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1csc(I)c1 2008523072 YFTHJFWVEIIIHH-RNFRBKRXSA-N 450.117 1.643 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)N2CCC(Br)CC2)C1 2188789122 VEPQOAOYMYATFC-OLZOCXBDSA-N 470.386 1.533 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cc(B(O)O)cs2)C1 2259429382 PFRNSUFUMPFYSW-UHFFFAOYSA-N 469.369 1.014 50 10 JDGE CC(C)(C)OC(=O)NC[C@]1(Oc2cc(B(O)O)c(Cl)cn2)CCN(Cc2ccccc2)C1 2263275968 KUQSFVQVBDXFFT-JOCHJYFZSA-N 461.755 1.963 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B(O)O)cc1Cl 2267727832 MNIVBUHMJLAAIN-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCc2cccc(B(O)O)c2)C1 2284015566 PBWZEPMHBIJKKG-RUZDIDTESA-N 468.359 1.827 50 10 JDGE COc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1B(O)O 2296187300 YSESGANGZFYRIL-HRAATJIYSA-N 472.347 1.490 50 10 JDGE Cn1nnc(Br)c1S(=O)(=O)NCC(F)(F)C(F)(F)CI 2361674817 PDXGMZUREYKNMH-UHFFFAOYSA-N 495.034 1.562 50 10 JDGE NNC(=O)C12COC(COc3cc(Br)cc(I)c3)(C1)C2 2364263750 PNEYUDGABLYHAK-UHFFFAOYSA-N 453.074 1.972 50 10 JDGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629403 JBIRUKTUCMEXTF-CYBMUJFWSA-N 450.289 1.925 50 10 JDGE COc1cc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1O 254481543 YCNWBFGHEHONKT-UHFFFAOYSA-N 476.555 1.174 50 10 JDGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)cc2)CC1 728214917 UWXHBDZKKHQFPK-NRFANRHFSA-N 487.582 1.497 50 10 JDGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCc3ccccn3)cc2)cc1 1084387306 AJMHHSLSAZMYNT-UHFFFAOYSA-N 461.478 1.874 50 10 JDGE C=C[C@@H](CC)CC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1182182683 HANZYRJCBDZUAM-WMLDXEAASA-N 453.561 1.702 50 10 JDGE CN1[C@@H](CCl)N(C(=O)OC(C)(C)C)c2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O 2081067849 NZXDAMLIGSDSPD-GFCCVEGCSA-N 460.361 1.928 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2COC[C@]2(CBr)C1 2226176279 PUVUJTHJBNKZBN-VLIAUNLRSA-N 485.400 1.982 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B(O)O)ccc1F 2268633330 RRLIBEMMOAXXAZ-FQEVSTJZSA-N 459.327 1.147 50 10 JDGE O=C1NC(=O)N(c2ccc(I)cc2)C(=O)C1=CNNC(=O)c1ccncc1 2296114381 ZUOWDYJSJAUMSY-UHFFFAOYSA-N 477.218 1.088 50 10 JDGE CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=S)NCc2ccc3c(c2)OCO3)cc1 15912856 BPXORIUMDCSIKH-UHFFFAOYSA-N 450.542 1.411 50 10 JDGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40659220 LUZMLSRHKMJKDI-UHFFFAOYSA-N 466.414 1.665 50 10 JDGE COc1cccc(-c2c(C(=O)NN=C(C)c3ccc(O)c(OC)c3)nnn2-c2nonc2N)c1 254751925 QVFLGPRRMQMELO-UHFFFAOYSA-N 464.442 1.776 50 10 JDGE COc1cc(C=NNC(=O)c2nc[nH]c2C(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O 254799128 TXVXIVPWIZMCBD-UHFFFAOYSA-N 452.427 1.366 50 10 JDGE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)CI)C2)C1 1885994094 YSGYNYCNKLNWIV-UHFFFAOYSA-N 450.320 1.427 50 10 JDGE CC(C)(C)OC(=O)NCCO[C@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2112696700 NCUDXWJWNSXZOQ-AWEZNQCLSA-N 456.403 1.706 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccsc2B(O)O)CCN1C(=O)OC(C)(C)C 2247749455 UNXZQDGEXPIZCA-UHFFFAOYSA-N 455.342 1.273 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCc2ncc(B(O)O)s2)C1 2268665963 AZMDPRNVWDYTTJ-JOCHJYFZSA-N 475.376 1.283 50 10 JDGE O=C(OCc1ccccc1)N1CCC[C@H](NS(=O)(=O)c2ccc(B(O)O)cc2Cl)C1 2282361556 SKNDWPWZUYXLIL-INIZCTEOSA-N 452.725 1.099 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC1(CCl)CCS(=O)(=O)CC1 2199807639 VTZCQEDWBGCULJ-UHFFFAOYSA-N 477.004 1.416 50 10 JDGE Cc1csc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1B(O)O 2256620650 KVPHUOQBOJJEQU-HNAYVOBHSA-N 462.377 1.851 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c(B(O)O)c1 2282360564 DYAPYMWQMJNTAF-UHFFFAOYSA-N 499.395 1.068 50 10 JDGE OB(O)c1ccnc(OCc2ccc(I)c(Br)c2)c1F 2377620941 ZJTNWTGHGRSRAU-UHFFFAOYSA-N 451.826 1.847 50 10 JDGE CCN(CC)Cc1c(C(=O)N/N=C/c2cccc(Br)c2)nnn1-c1nonc1N 1507397 FZJJWROGARPYIX-AWQFTUOYSA-N 462.312 1.601 50 10 JDGE N=C1N=C([C@@H]2CCNC(=O)C3=NC(Br)=C(Br)[C@@H]32)[C@H](Br)N1 604933996 BNSZOWGZZQSFNA-OSCPRWCLSA-N 467.947 1.852 50 10 JDGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1 1562199203 RBTOEFYAGBHIJB-INIZCTEOSA-N 454.483 1.982 50 10 JDGE Cc1nc(I)c(I)n1Cc1nc(C(=O)NN)co1 2028588860 SPDDRYFTNUBNDO-UHFFFAOYSA-N 473.012 1.041 50 10 JDGE CCCNC(=O)CN1C(=O)/C(=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 59160579 JSSICDYKCYGMOC-LKUDQCMESA-N 454.483 1.719 50 10 JDGE CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 1942097232 GWKMFXYBKPLEFM-AWEZNQCLSA-N 458.378 1.404 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CC(OCCBr)C1 1946924013 PMOGPANDGMWKKJ-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@]12CCOC2 2162589712 TUSHAKGNVMRJMO-YOEHRIQHSA-N 468.414 1.849 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H]1CC[C@@H](CBr)CO1 2246564149 VYBMXYAQNLNYRF-KBPBESRZSA-N 459.362 1.782 50 10 JDGE Cc1cc(B(O)O)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)s1 2267419366 PGXXMIHZBPQUGL-SFHVURJKSA-N 473.404 1.588 50 10 JDGE CN(Cc1cccc(B(O)O)c1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283950520 LWBWFUCZKCGYHN-VWLOTQADSA-N 467.375 1.494 50 10 JDGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2296718485 LLOXWYUYKBVEIB-MRXNPFEDSA-N 480.502 1.706 50 10 JDGE COC[C@@H](Oc1c(I)cc(Cl)cc1I)C(=O)NN 385131094 UUMJIVRBOYRFRJ-MRVPVSSYSA-N 496.470 1.933 50 10 JDGE COc1ccc(/C=N/NC(=O)Cn2c(NCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 606630553 VHZGGEUMQDEJBN-VULFUBBASA-N 475.509 1.205 50 10 JDGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)CC1 727742971 LPADXAXZEOUNEP-LDADJPATSA-N 452.540 1.369 50 10 JDGE Cc1ccc2c(c1)C(=NNC(=O)CCC(=O)NN=C1C(=O)N(C)c3ccc(C)cc31)C(=O)N2C 1772720489 PYEUUSBONZXNLT-UHFFFAOYSA-N 460.494 1.377 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Cl)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1848434164 YRXSTYGMBJFQAY-KFGODFMUSA-N 453.831 1.041 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)CBr 1900070399 LDVSNWWEWGHXKJ-CQSZACIVSA-N 457.268 1.960 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CI)C2(CCOCC2)C1 1983327769 QAXUEXREFGHVGC-NSHDSACASA-N 460.334 1.714 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@H](CCNS(=O)(=O)N2CCC(Br)CC2)C1 2124738235 BXCXAXSEFKYPGP-CQSZACIVSA-N 456.403 1.706 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCC[C@]2(CBr)C1 2278888662 WIYFHHWFILRBLZ-MNEFBYGVSA-N 489.363 1.826 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B(O)O)C1 2283955674 GKISQBPIBXEINJ-JTSKRJEESA-N 468.359 1.750 50 10 JDGE N#C/C(=C/c1ccc(OCCN2CCOCC2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 96438639 NXHXCDDYYFNJRE-SDXDJHTJSA-N 456.524 1.591 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccc(F)cc1)C=2C(=O)Nc1ccc(C)cc1 254795614 QYNNMWLUEKJCDC-FQEVSTJZSA-N 490.516 1.549 50 10 JDGE COc1cc(C=NNc2nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)cc(OC)c1OC 1084454213 HRHBXFLLIAUZOX-NSHDSACASA-N 465.536 1.561 50 10 JDGE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)C1 1321518699 HACZPNHMECRSFW-AWEZNQCLSA-N 484.376 1.651 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1 1866807832 BFCFWVRDDRCRET-IBGZPJMESA-N 490.563 1.498 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCCCN3CCCC3)C2)C1 1872960561 DWIKLWJDHVEUSD-PMACEKPBSA-N 456.591 1.488 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2sccc2B(O)O)CC1 2266971032 UNSRAHZOCJTSAV-UHFFFAOYSA-N 483.396 1.358 50 10 JDGE COCCN(C=C(C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 2325279904 KKEMLGIRHOFTNY-FQEVSTJZSA-N 450.536 1.017 50 10 JDGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623629 FZEPPCFVIAPLPU-KRWDZBQOSA-N 454.508 1.157 50 10 JDGE CC(C)N(CC(=O)N[C@H](CO)C(=O)Nc1ccc(SC#N)cc1)S(=O)(=O)c1ccc(F)cc1 1867228405 UKINLIWDAGNHIC-LJQANCHMSA-N 494.570 1.914 50 10 JDGE CO[C@@H]1C[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2067189278 PVICLCXGHUSFKJ-FSUOKIBISA-N 477.352 1.871 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCOCC2)[C@H]2CS(=O)(=O)C[C@H]21 2163064317 UDMMECZYUMHVGB-LSDHHAIUSA-N 467.426 1.896 50 10 JDGE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240342293 SCJSLDUEVUVKLO-OLYFUFLNSA-N 462.175 1.557 50 10 JDGE COc1ccc(B(O)O)c(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 2247876508 QPRSVMZZKFYETB-UHFFFAOYSA-N 460.295 1.644 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc(B(O)O)c(F)c1F 2256670366 CKHPMFLOWNWZAD-MRXNPFEDSA-N 450.247 1.693 50 10 JDGE COCCn1c(C)cc2c(c1=O)[C@@]1(C(=O)N(C[C@@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39918723 VOUCTOPOQMFVNO-LMKMVOKYSA-N 462.506 1.701 50 10 JDGE CCOc1c(Br)cc(/C=N/NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1OC 169925294 XSXXQATWKMGHDQ-AWQFTUOYSA-N 453.293 1.624 50 10 JDGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 916309188 BFFUBSSLWPSIKD-UHFFFAOYSA-N 458.540 1.733 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B(O)O 2256621951 AQKCGNLDDLDITC-SFHVURJKSA-N 461.393 1.412 50 10 JDGE C[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cscc1B(O)O 2268632088 GIPBBRGHUIDAEY-WAIKUNEKSA-N 473.404 1.775 50 10 JDGE Cc1ccc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1B(O)O 2278698912 VRIKWNCKQDPDGZ-UHFFFAOYSA-N 455.364 1.318 50 10 JDGE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2282360689 GLFWAJFBYOKMCD-ZWKOTPCHSA-N 452.725 1.098 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc2C1 2283987790 MSFATCROOBEYFC-QFIPXVFZSA-N 467.375 1.276 50 10 JDGE COC(=O)[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2303526618 RGRMORVZXKGIRU-AWEZNQCLSA-N 461.334 1.309 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1sc(Cl)cc1B(O)O 2343830751 JBEBILSJFHKDOZ-HNNXBMFYSA-N 496.778 1.724 50 10 JDGE COc1cc(C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 254292170 RNCABCYSVBNMMK-UHFFFAOYSA-N 461.471 1.618 50 10 JDGE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 729455596 NEZYTGXVHMBCBI-UHFFFAOYSA-N 460.903 1.914 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)NNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1 1858082238 QXXRYSPVYSFKQA-UHFFFAOYSA-N 451.446 1.081 50 10 JDGE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(B(O)O)cc3)sc2c1 1866097301 GMHPVPWEGMGCJD-UHFFFAOYSA-N 457.342 1.591 50 10 JDGE COC[C@@](C)(CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046031153 CWXOXXVUDRCNSW-ZWKOTPCHSA-N 479.368 1.978 50 10 JDGE Cc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Br)sc1Br 2121367732 JHKNKSMGFAKEAF-BQBZGAKWSA-N 453.199 1.658 50 10 JDGE Cc1ccc(S(=O)(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)c(B(O)O)c1 2255887622 CSDVRBNASGXEID-UHFFFAOYSA-N 452.385 1.998 50 10 JDGE Cc1ncnc(Sc2cc(I)ccc2Br)c1B(O)O 2338312259 CVOTWPCBABNKSJ-UHFFFAOYSA-N 450.892 1.983 50 10 JDGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(N3CCC(C)CC3)nc12 33632792 WISICRYVALTLSE-FSEPTYSPSA-N 469.567 1.450 50 10 JDGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])CC1 40618819 MTPSKIJFOLBETF-UHFFFAOYSA-N 459.419 1.829 50 10 JDGE Cn1c(O)nc(=O)c2c1nc(SCC(=O)NN=Cc1ccc(O)cc1O)n2CCc1ccccc1 254671349 SOZMBJSRMOISNX-UHFFFAOYSA-N 494.533 1.732 50 10 JDGE Cc1csc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1B(O)O 2255574946 JDEUCYGWISZOLA-UHFFFAOYSA-N 450.369 1.938 50 10 JDGE Cc1csc(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2256642040 RMRHGWRCYXFOEW-KRWDZBQOSA-N 462.377 1.853 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268680186 KGLBGJUKKBWYLY-UHFFFAOYSA-N 457.336 1.340 50 10 JDGE CSCC[C@H](NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O 2325044644 QBXLFAKBYIZIIJ-SFHVURJKSA-N 466.585 1.031 50 10 JDGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)nnn1-c1nonc1N 254554829 FABADPANNBPKOC-LLVKDONJSA-N 498.460 1.008 50 10 JDGE CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCC(=O)NNC(=O)/C=C/c2ccccc2)O1 504051096 RHUOIDQSBWTIEJ-LJWUOLLZSA-N 462.499 1.260 50 10 JDGE Cc1ccc(NC(=O)C(=O)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1C 769695230 VHGDPJJKUNZOEB-UHFFFAOYSA-N 452.492 1.751 50 10 JDGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 1084447730 PYYXXHXKUXXRIR-GOSISDBHSA-N 454.483 1.458 50 10 JDGE C=C[C@@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1294587831 NMQNMMWGMQHBLT-OAQYLSRUSA-N 456.568 1.419 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3cc(F)ccc3F)ccc2F)CC1 1472217139 CDNQRDSYDGTSKW-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)COc2ccc(Br)cc2)C1 1681771803 XIBYKOPMVCBUSP-IAOVAPTHSA-N 453.337 1.805 50 10 JDGE CN1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 2106763209 BQJWVHHEGPAJDR-AWEZNQCLSA-N 455.419 1.231 50 10 JDGE CN(CC1CC(Br)C1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249438756 NBRPTNYSCGCHEH-YMAMQOFZSA-N 463.350 1.801 50 10 JDGE Cn1ncc(C(=O)N2C[C@@H]3OC[C@@H](CBr)O[C@H]3C2)c1I 2279927870 GHGCKXORTDPWRL-JEZHCXPESA-N 456.078 1.028 50 10 JDGE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cccc(B(O)O)c1 2284058243 JWGSPZUHNNPMNJ-BVZFJXPGSA-N 467.375 1.713 50 10 JDGE C[C@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1cccc(B(O)O)c1 2284137860 TXNMJQDGLBLYAM-SFHVURJKSA-N 468.359 1.998 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 206640762 ZLZXXQLVZGUFQZ-TWGQIWQCSA-N 460.468 1.970 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)c1ccc(Br)s1 234614609 RNIONWZSKIYHFI-YFKPBYRVSA-N 454.105 1.766 50 10 JDGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1 1216725696 GPLWHNAWQOQYMV-NRFANRHFSA-N 453.499 1.343 50 10 JDGE CC(=O)N1CCN(c2ccc(C(=O)NNc3ccc(C(F)(F)F)nn3)cc2[N+](=O)[O-])CC1 1295990275 GRXAJEAOXVQMOI-UHFFFAOYSA-N 453.381 1.829 50 10 JDGE C/C(=C\c1ccncc1)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1530380275 MKPHKWDDHRHQIU-WUKNDPDISA-N 458.540 1.286 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NS(=O)(=O)CI)C1 1884473192 CVKNASLYPBMXGJ-GSDQLPOLSA-N 452.336 1.816 50 10 JDGE C[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2009333689 LYETXOXINNLRLF-KGLIPLIRSA-N 459.362 1.877 50 10 JDGE CN(C)[S@@](=O)(=NCCOCCI)N1CCN(C(=O)OC(C)(C)C)CC1 2326655390 XJDQRIZRMXDKLJ-VWLOTQADSA-N 490.408 1.850 50 10 JDGE Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 16177463 SXTUQAQNZDJIJC-UHFFFAOYSA-N 487.563 1.411 50 10 JDGE COc1ccc(CCNC(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 216794631 ZRLWMHPYNJHTMK-ZZEZOPTASA-N 484.578 1.776 50 10 JDGE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)[C@H]2C1 1686694229 JYALFXYJZVCAKO-BVSLBCMMSA-N 456.591 1.176 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1cscc1B(O)O 2243412360 LJUASSXJSMRIKN-UHFFFAOYSA-N 454.379 1.534 50 10 JDGE O=C(NC[C@@H](NC(=O)c1cc(B(O)O)c(Cl)s1)C(F)(F)F)OCc1ccccc1 2267424980 JGLLLBDOUIEERS-GFCCVEGCSA-N 450.631 1.668 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296731285 LHOKHXFDQNQIHG-LMMKCTJWSA-N 451.527 1.819 50 10 JDGE CCOc1cc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)ccc1OC 169891672 KFSOKPNHYWCPGI-MTEVNVADSA-N 455.496 1.849 50 10 JDGE CN1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2046026549 SGHLAOLKLHXVHZ-SCLBCKFNSA-N 476.368 1.352 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@@H]21 2128868398 KCYBQOGKUZXPDA-XJTZBENFSA-N 489.363 1.967 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1B(O)O 2256678198 BUVPPOFNURUARJ-INIZCTEOSA-N 450.247 1.693 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(F)c(F)c2B(O)O)CCN(Cc2ccccc2)C1 2283957872 SVHXMSCRBFUIBJ-HSZRJFAPSA-N 475.301 1.753 50 10 JDGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 2314109217 ONXIYCQZJAKVFC-KRWDZBQOSA-N 467.507 1.679 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Cl)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 33744999 YRXSTYGMBJFQAY-NNPSNHGLSA-N 453.831 1.041 50 10 JDGE in-vitro CNC(=O)/C(C#N)=C\c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O 102995714 OAVIGZWGZJGEQA-UYRXBGFRSA-N 486.532 1.707 50 10 JDGE COc1ccc(C(=O)NNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c(OC)c1 731047610 SKUIDJAPHZFVMH-SFHVURJKSA-N 469.542 1.545 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN3CCCc4ccccc43)CC2)c1 913492952 MUQYYSOQUFSYFN-UHFFFAOYSA-N 498.605 1.890 50 10 JDGE C#CCCCC(=O)NNC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1657892980 ADQHQCYSYNXIPN-HNNXBMFYSA-N 450.517 1.217 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 1942903646 HXBABMOGFBBMKJ-RCBQFDQVSA-N 457.346 1.629 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Oc2cc(B(O)O)c(Cl)cn2)C1 2263275612 IHNJCJWBJWLIPS-UHFFFAOYSA-N 471.747 1.650 50 10 JDGE O=C(NCCS(=O)(=O)CCBr)c1sccc1I 2299301433 VHIGXZMEDWMGJR-UHFFFAOYSA-N 452.133 1.892 50 10 JDGE NNC(=O)COc1cccnc1NC(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1858787768 OURQCMMZBDOJSZ-IBGZPJMESA-N 487.513 1.926 50 10 JDGE Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1B(O)O 2278700639 PKXISDCVUATMHJ-UWJYYQICSA-N 456.348 1.790 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCCc2cccc(B(O)O)c21)Cc1ccccc1 2284016979 CDZFMNZGZXTBJX-UHFFFAOYSA-N 467.375 1.673 50 10 JDGE CN(C)CCN(C=C(C#N)C(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 2318467744 GMGLXUFJQUDDEK-QHCPKHFHSA-N 458.628 1.926 50 10 JDGE CCn1c2ccccc2c2cc(C=NNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 252617633 KXJYQCMJIMSOJK-UHFFFAOYSA-N 457.494 1.712 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@H]21 1905709307 LDBPBPRPURFWDT-OWCLPIDISA-N 457.346 1.487 50 10 JDGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 2325282297 QHMOCNVMSDVPOF-UHFFFAOYSA-N 483.569 1.888 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2330880640 NLYHMPMUDBCXOB-XXHPDZBISA-N 489.363 1.682 50 10 JDGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1538484591 RIGAVWIHOQVUMC-FQEVSTJZSA-N 457.575 1.653 50 10 JDGE COc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 1860769801 IJQNAUMIOUZWBY-CYBMUJFWSA-N 456.524 1.818 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccccc3S(=O)(=O)CC(C)C)c(=O)c2c1C 1865851667 FUDOQWJFCCAMHZ-UHFFFAOYSA-N 476.580 1.966 50 10 JDGE COC(=O)[C@H](I)CNC(=O)c1cc(I)sn1 1983294882 LEZLNUFIVVXBRW-SCSAIBSYSA-N 466.038 1.454 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](Br)C2(CCOCC2)C1 2006030942 TYWYNDVKMBHJHZ-OAHLLOKOSA-N 457.346 1.488 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2022219684 JDZYISUDYXXMMY-UHOFOFEASA-N 457.346 1.487 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1C[P@](C)(=O)C[C@H]1Cl 2057719450 KEUUKASIKGUWBU-OCIDDZGHSA-N 450.856 1.913 50 10 JDGE OB(O)c1cc(I)cc(I)c1I 2060202780 NSYJYATWEJUUOZ-UHFFFAOYSA-N 499.620 1.180 50 10 JDGE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2S(=O)(=O)N2CCC(Br)CC2)C1 2130056327 VTNWNURQNDEJBX-CYBMUJFWSA-N 454.387 1.147 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B(O)O)c1 2140550863 OSMTUJOIDWKFAQ-OAQYLSRUSA-N 455.364 1.050 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2c(B(O)O)cccc21 2268679122 CWZFNLFCCHMRNM-SFHVURJKSA-N 454.332 1.756 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cccc(B(O)O)c21 2283966721 YCFCAMSVPTYJSN-NRFANRHFSA-N 467.375 1.671 50 10 JDGE COc1ccc(OC)c(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1 20923794 MYPMPCLARCISBG-LSHDLFTRSA-N 473.490 1.960 50 10 JDGE C[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H](CCBr)O1 2009333688 LYETXOXINNLRLF-KBPBESRZSA-N 459.362 1.877 50 10 JDGE NNC(=O)[C@H]1CC[C@@](F)(Cn2cnc(I)c2I)CC1 2122077570 BNQNUTLCKDOXBC-AGGWVSIMSA-N 492.074 1.981 50 10 JDGE CC(C)(C)OC(=O)Nc1cc(I)cc(C(=O)Nc2ncccc2B(O)O)c1 2180981195 RBXBMRJCVQEECB-UHFFFAOYSA-N 483.071 1.965 50 10 JDGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)N1CCC(C(=O)O)CC1 2324589122 PAAXZSPKAPEJIW-UHFFFAOYSA-N 482.946 1.503 50 10 JDGE CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc4c(c3)OCCCO4)C2=O)cc1 72461486 VNWFVMKXDZAYPB-KRWDZBQOSA-N 453.451 1.591 50 10 JDGE C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCN(C)CC2)c2ccccc21)c1cccs1 100270451 WQYPHCWEDYOEKL-UWHCKCMLSA-N 454.556 1.561 50 10 JDGE O=C(OCOCOCOCOC(=O)c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O 100476125 KVUKZSJWHADELQ-UHFFFAOYSA-N 486.341 1.201 50 10 JDGE CC(C)n1nc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c2ccccc2c1=O 749159999 BASFSQFMSIDUTM-INIZCTEOSA-N 489.579 1.653 50 10 JDGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1C=NNC(=O)CSc1nc(N)cc(N)n1 1084209993 QYRVZMXJWVAPPN-UHFFFAOYSA-N 467.559 1.214 50 10 JDGE CCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] 1860396010 BHUJYIBLOVBIRA-UHFFFAOYSA-N 450.473 1.709 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)C[C@@]2(CCCO2)C1 1924281060 OTKVLJLTEVLEPY-ACJLOTCBSA-N 457.346 1.631 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1CO 2122366766 BJCYAFSNJCDZDZ-TZMCWYRMSA-N 456.403 1.298 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)c2ccc(B(O)O)c(C(F)(F)F)n2)C1 2240313009 GTJWPQIASARQNP-UHFFFAOYSA-N 481.280 1.769 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B(O)O)c1 2256624285 UURYNIBDZZSRJM-HNAYVOBHSA-N 462.377 1.885 50 10 JDGE Cc1sc(B(O)O)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1C 2281896245 GCQJTRYSOLICCC-IBGZPJMESA-N 487.431 1.896 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(F)c(B(O)O)cc2Cl)C1 2282972686 SMFRVKPBNZOJEF-UHFFFAOYSA-N 492.740 1.783 50 10 JDGE COC1(CBr)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 703958035 KSTCUQNPDXPITD-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE OB(O)c1c(I)ccc(I)c1Br 2059979806 ZPHPAIBHLBZAPK-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240339820 VHSCPRMDLFZPDB-UEVBJWJISA-N 462.175 1.557 50 10 JDGE O=C(NOCCCNS(=O)(=O)c1cccc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2255883883 OHCYUGXFFXREPB-UHFFFAOYSA-N 496.350 1.505 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268718220 PLPOSAYQTAYQBH-QHCPKHFHSA-N 473.404 1.556 50 10 JDGE O=C(N1CCC[C@]2(CN(CCOCCI)CCO2)C1)C(F)(F)F 2306801919 KLPBMWPCYAUDKU-ZDUSSCGKSA-N 450.239 1.694 50 10 JDGE CCO[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CNC(=O)OC(C)(C)C 2354608955 PIPUZZUZZJVDJI-UKRRQHHQSA-N 470.430 1.952 50 10 JDGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1OC 254288167 JKEBVMDVWFOOOA-UHFFFAOYSA-N 492.452 1.799 50 10 JDGE CS(=O)(=O)N[C@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1 915199471 CPLDHVYVXMWIEO-ZPBCLNFZSA-N 452.540 1.911 50 10 JDGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(S(N)(=O)=O)cc1 916262470 LZPXIXZWLOFTTG-UHFFFAOYSA-N 464.569 1.663 50 10 JDGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)/C(C#N)=C/c3cnn(C)c3)cc2)CC1 1143465434 RRVQJZKMDVFIPX-PXLXIMEGSA-N 450.543 1.229 50 10 JDGE CC(C)/C=C(/C#N)C(=O)N1CCCCOC[C@H](O)[C@@H](O)[C@H](O)CN(C(=O)c2ccc(F)cc2)CC1 1615118953 KBDQXMKBRIBRMO-NZZDGTQQSA-N 491.560 1.096 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@]3(C)C[C@H]3Br)cc2)CC1 1618622862 PBAGMMKPPMIUQD-AEFFLSMTSA-N 458.378 1.443 50 10 JDGE C=C[C@](C)(CC)C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1641100740 AFYMCEJOTMDKBF-HRAATJIYSA-N 453.561 1.702 50 10 JDGE COc1ccc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1 2267450979 JRPKNJUOUFZMGQ-UHFFFAOYSA-N 490.321 1.965 50 10 JDGE CN(C)CCN(C=C(C#N)C(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 2318467743 GMGLXUFJQUDDEK-HSZRJFAPSA-N 458.628 1.926 50 10 JDGE O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20457487 ZDUOUKFEYLOEJO-UHFFFAOYSA-N 458.456 1.414 50 10 JDGE COc1cc(C(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c([N+](=O)[O-])c(OC)c1OC 254607520 VJMPWIRBGRAQQV-UHFFFAOYSA-N 465.331 1.907 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@]1(CBr)CCOC1 1942088796 MOCOMUQNGBEFSP-GOSISDBHSA-N 459.362 1.926 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cc(I)sn1 2008521331 JMSXDHKUFAPXMA-INEUFUBQSA-N 451.105 1.038 50 10 JDGE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106776646 KEOFXBMCRTVUFG-ZIAGYGMSSA-N 456.403 1.705 50 10 JDGE COC1(CCNS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2110700875 BBWZTHBXUNHDBZ-UHFFFAOYSA-N 456.403 1.706 50 10 JDGE Cc1nsc(B(O)O)c1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2247789013 ONHSPODDOIGVAO-UHFFFAOYSA-N 481.339 1.722 50 10 JDGE CCCn1cc(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2281685171 CHMDPJWYCZKTQQ-UHFFFAOYSA-N 480.371 1.423 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2CCOCCI)C1 2326642417 SFSOQMRZFSSHBX-KRWDZBQOSA-N 470.348 1.776 50 10 JDGE COc1ccc(/C(C)=N/Nc2nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]2)cc1OC 20834034 JGMGIWYNFQTOMZ-ODCIPOBUSA-N 461.426 1.460 50 10 JDGE COC(=O)[C@@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994950 ZRJHYWPIKFOFBY-ZDUSSCGKSA-N 461.334 1.165 50 10 JDGE C#C[C@@H](CO)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1141496341 PMJJZIMSZVPFJH-QHIITQONSA-N 456.300 1.205 50 10 JDGE CC(=O)N[C@@H](C(=O)NNC(=O)c1nnc(O)c2ccccc12)c1cccc(Br)c1 1540601917 VFWSCTOGBDFSPM-OAHLLOKOSA-N 458.272 1.736 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCN1CCC(Br)CC1 2108231777 SHGZZKMGLOYCPA-LJQANCHMSA-N 490.395 1.790 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Nc2cc(B(O)O)c(Cl)cn2)C1 2263276228 MXVJQSFRHVCSLZ-UHFFFAOYSA-N 470.763 1.683 50 10 JDGE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NNC(=O)Cn1c(O)nc2ccccc2c1=O 2328792546 VDBSRDLNBIBWNM-UHFFFAOYSA-N 479.449 1.538 50 10 JDGE C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 25720666 LANCGODCGYZJLX-IDNUSFOCSA-N 455.920 1.620 50 10 JDGE O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1cccc(I)c1 100449661 HFBLXIZRORDARQ-LBPRGKRZSA-N 453.236 1.694 50 10 JDGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN(C)C)c3ccccc32)cc1OC 254740737 XKZAQMXFPSDHAP-UHFFFAOYSA-N 453.499 1.831 50 10 JDGE COC(=O)COc1c(Br)cc(C=NNC(=O)CN2CCOCC2)cc1Br 1081085434 KSCOTZNJQSIFLI-UHFFFAOYSA-N 493.152 1.546 50 10 JDGE CC(=O)c1ccc(CCNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 1471627020 SXFXGHSDWGJNHB-UHFFFAOYSA-N 458.540 1.860 50 10 JDGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268676809 NWAWZKCGODGFGV-KRWDZBQOSA-N 475.420 1.974 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(B(O)O)c(F)c2)CCN(Cc2ccccc2)C1 2268719121 YQXPCQGOKUKDFV-HSZRJFAPSA-N 457.311 1.613 50 10 JDGE CC(CN1C(=O)c2ccccc2C1=O)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 254843981 DZPLLAMTTSECEP-UHFFFAOYSA-N 471.437 1.301 50 10 JDGE Cc1cc(/C=C(/C#N)C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 920289783 BSDHWFOFGILZTH-ZMUHTPIZSA-N 472.542 1.902 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccncc2)cc1)NCCc1ccccc1 1084014643 UVAQNWDNRUTRPL-UHFFFAOYSA-N 459.506 1.586 50 10 JDGE COc1cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)ccc1[N+](=O)[O-] 1860769936 MIRJJJSDBWZOKP-LLVKDONJSA-N 471.495 1.961 50 10 JDGE O=C(CC[C@@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 1866099193 MTSZWENSAOXGAH-HSZRJFAPSA-N 475.306 1.732 50 10 JDGE CCCCCC[C@@H]1[C@H]([C@@H](O)C(=O)[C@@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080454119 BHIZEFQUFOOKIR-BBDSXSJRSA-N 490.549 1.872 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CC2CN(S(=O)(=O)CI)C2)CC1 2211710695 TWFHZNNYAQRZHB-UHFFFAOYSA-N 459.350 1.193 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccsc2B(O)O)C1 2255483787 JDPMSKJVZFRFCZ-KRWDZBQOSA-N 459.377 1.279 50 10 JDGE Cc1c(B(O)O)cccc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2266954570 QXNUGJBXHABEQT-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)NCc2ncc(B(O)O)s2)CCN(Cc2ccccc2)CC1 2283980587 BREJSGGMEIUBBQ-UHFFFAOYSA-N 488.419 1.389 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2338848705 ZLXJYVNACQVLTI-HOTGVXAUSA-N 462.977 1.167 50 10 JDGE COc1ccc(CC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1CCOCC1 10736525 ADNORRONXIWTEX-UHFFFAOYSA-N 486.550 1.212 50 10 JDGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O 729276620 IVEBYOQNWHCHIR-YGRLFVJLSA-N 467.375 1.223 50 10 JDGE C#CC[C@@]1(C(=O)NNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1558446813 CIECYNYTHSZCDC-QRQCRPRQSA-N 450.536 1.936 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@H](CBr)C1 2000541219 HUEZIDMGKCIVSU-SJKOYZFVSA-N 463.325 1.436 50 10 JDGE CO[C@H](CCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2002978949 MZWBWIDBFMKUNH-PXAZEXFGSA-N 465.341 1.730 50 10 JDGE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNS(=O)(=O)N3CCC(Br)CC3)(C1)OC2 2162592886 YQCLQOPFVJXGIG-IRXDYDNUSA-N 468.414 1.897 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2163055991 NCHNVLFDHNFEKW-LSDHHAIUSA-N 468.414 1.801 50 10 JDGE Cc1cnc(NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1B(O)O 2223644337 HZCGOFMWUZNEIE-UHFFFAOYSA-N 452.361 1.680 50 10 JDGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1 14657188 LJUSPWPEMNTFBS-UHFFFAOYSA-N 458.540 1.444 50 10 JDGE COc1ccc(/C=N/NC(=O)c2nonc2C(=O)N/N=C/c2ccc(OC)cc2OC)c(OC)c1 59503398 CGTCTXOFNITLHO-ASIDMNOUSA-N 482.453 1.632 50 10 JDGE C[C@H](OCCCl)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21 196573287 XZXFETIYHPKOOL-IQKRIJFESA-N 477.905 1.316 50 10 JDGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 206489378 RGWQQDRPCLANNB-WJDWOHSUSA-N 463.446 1.566 50 10 JDGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)COc2ccccc2C#N)CC1 1476422218 FCWAAKLVYYWDPO-UHFFFAOYSA-N 450.499 1.454 50 10 JDGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Br 2338687698 BJXCRLRGIMLQEE-WHFBIAKZSA-N 479.976 1.235 50 10 JDGE Cn1cnnc1SCc1c(C(=O)NN=Cc2cccc(C(F)(F)F)c2)nnn1-c1nonc1N 254906865 SSBNHRVYZSFPOX-UHFFFAOYSA-N 493.435 1.436 50 10 JDGE COc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 1084447731 PYYXXHXKUXXRIR-SFHVURJKSA-N 454.483 1.458 50 10 JDGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@@H]3CCCO3)c2C)CC1 1292889822 MIVQIWAZSQWGOP-AMCKHAKVSA-N 451.571 1.475 50 10 JDGE Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Br)ccc1I 2142116448 JLHYMLALFGKFIW-ONGXEEELSA-N 458.115 1.890 50 10 JDGE Cc1sc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(B(O)O)c1C 2281787922 UDRNWBSOMOOCLT-IBGZPJMESA-N 487.431 1.896 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccc3c(c2)OCO3)nnn1-c1nonc1N)c1ccccc1 254341423 FJRZHYWHOYMSTF-UHFFFAOYSA-N 461.442 1.362 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=C/C=C/c2ccccc2)c1CSC1=NCCS1 254420491 VNHAENMCKQOXQN-XBWBJOPRSA-N 455.529 1.998 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H]1CBr 703993957 NCSVHSGIDGLMMA-ZDUSSCGKSA-N 459.362 1.734 50 10 JDGE C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1230264018 CZVUNUFUVJCBEO-ICSRJNTNSA-N 458.540 1.700 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@]3(C)C[C@@H]3Br)c2)CC1 1588025872 JCUBCNHHGYJZDK-WMZOPIPTSA-N 458.378 1.443 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1 1873777350 GGQZFVGWGTWMII-KRWDZBQOSA-N 454.487 1.822 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(S(=O)(=O)CBr)C1 1962844632 HHQBTHOISHNNGE-KGLIPLIRSA-N 468.414 1.896 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@H]21 2040599569 YKUJKZOCLMJNCO-HRCADAONSA-N 471.373 1.733 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNc1ncc(Br)cc1B(O)O 2223673278 XHLSESJDFHWIAQ-UHFFFAOYSA-N 452.205 1.842 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256679443 LLZQDHYLUQGAFM-KRWDZBQOSA-N 462.377 1.805 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccnc(B(O)O)c2)CCN(Cc2ccccc2)CC1 2283953347 RXLNJNZDFJWZFP-UHFFFAOYSA-N 468.363 1.650 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCCS(=O)(=O)CCBr 2314185903 GJXHVUTVVGXGPQ-UHFFFAOYSA-N 495.417 1.182 50 10 JDGE N#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1cccc(S(=O)(=O)O)c1 2324209859 BJDYNNLBNDKXLF-UHFFFAOYSA-N 470.507 1.826 50 10 JDGE COc1ccc(CCNC(=O)C(C#N)=CNCCc2ccc(S(N)(=O)=O)cc2)cc1OC 2324718774 FJZXATDHNRSSQW-UHFFFAOYSA-N 458.540 1.250 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NNC(=O)NCc2ccc(Cl)cc2)c1 1467253867 MWWUDHRDFJWBSE-UHFFFAOYSA-N 452.920 1.742 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)C1 1872962022 OJBDVNLQMACPMD-OALUTQOASA-N 453.518 1.994 50 10 JDGE O=C(OCc1ccccc1)N1CCO[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C1 2044262053 KWXDZNKRULEZIH-KRWDZBQOSA-N 476.393 1.718 50 10 JDGE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2162592775 XTOBBGMBTFZJIU-YGUOUDRMSA-N 470.386 1.279 50 10 JDGE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C[C@@H](C)N1C(=O)OCc1ccccc1 2282379365 SVFJWENQWHURPF-CHWSQXEVSA-N 472.781 1.501 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(B(O)O)cc2Cl)C1 2287646650 SJSPNGHCHIBNEM-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2cccc(S(=O)(=O)O)c2)c1 2324208852 XWBNXGRMCYYYMB-UHFFFAOYSA-N 459.436 1.965 50 10 JDGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(OC)c1 1860769780 HYXXKLFRLYRMBX-CYBMUJFWSA-N 470.551 1.990 50 10 JDGE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1[N+](=O)[O-] 1872962639 VKQPFHUOJVYJOO-CVEARBPZSA-N 482.497 1.733 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1B(O)O 2256620107 FBRALSOOFIVWPT-LJQANCHMSA-N 461.755 1.984 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B(O)O)cc2C1 2268656603 YTZXWOPAABXOIJ-KKSFZXQISA-N 454.332 1.707 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCc2cc(B(O)O)cs2)C1 2268679272 MHAALGGBNDKAMB-QHCPKHFHSA-N 474.388 1.888 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(B(O)O)c(F)c2)C1 2281746278 YWJNZMMPHKKZSZ-IBGZPJMESA-N 471.338 1.357 50 10 JDGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 40814530 RZXRAEUZJNJXSV-LGUFXXKBSA-N 483.525 1.958 50 10 JDGE COc1cc(/C=N/NC(=O)CSc2nnc(CCc3ccccc3)n2N)c([N+](=O)[O-])cc1O 58992167 PFOZEVYLJMYZQE-SSDVNMTOSA-N 471.499 1.642 50 10 JDGE Cc1cccc(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3cccc(C)c3)CC2)c1 100103690 VOMYDNAHYBZXHM-UHFFFAOYSA-N 496.564 1.862 50 10 JDGE C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(N)=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 299873052 GFJQQPYCTIQFPJ-HNLRVMFMSA-N 461.559 1.353 50 10 JDGE Cc1csc(CC(=O)NNC(=O)COC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)n1 761223880 UROWKBFHDWHUSQ-UHFFFAOYSA-N 474.520 1.047 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)c1 1633773683 PAZYFHXXUNEOCJ-QFIPXVFZSA-N 451.508 1.461 50 10 JDGE CO[C@H]1[C@@H](CCl)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1OC 2233352834 FQMBKPZCZIHKKM-OAFZBRQQSA-N 462.927 1.294 50 10 JDGE O=C(c1cc(I)sn1)N1C[C@@H]2OC[C@@H](CBr)O[C@H]2C1 2265158544 NQHFSNFXFVVCSN-YEPSODPASA-N 459.103 1.751 50 10 JDGE CC(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)=C1C(=O)NC(=O)SC1=O 2297123822 OTTPLRRFJVOQCZ-UHFFFAOYSA-N 486.959 1.145 50 10 JDGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CSc1nnc(N)s1 253562437 DGJZYUOEWBEVEU-SRZZPIQSSA-N 458.573 1.693 50 10 JDGE CC(C)(C)OC(=O)NCCN1CCN(S(=O)(=O)CI)C(C)(C)C1 1900662201 PCEVMROPQSHQEP-UHFFFAOYSA-N 461.366 1.630 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1COC2(CCN(S(=O)(=O)CI)CC2)C1 1983328012 SKOJVVDNRMLJKA-LLVKDONJSA-N 460.334 1.857 50 10 JDGE CO[C@@H](CCBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2002978952 MZWBWIDBFMKUNH-YVEFUNNKSA-N 465.341 1.730 50 10 JDGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2048330566 UMCCTHKZXSZFIB-ZJNRKIDTSA-N 477.352 1.825 50 10 JDGE C=C[C@@]1(CBr)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2135136413 WQKVPVTWQIWING-RBUKOAKNSA-N 489.363 1.993 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2ccc(B(O)O)cc21)Cc1ccccc1 2268676292 IZIOTBLLEXFUSQ-UHFFFAOYSA-N 453.348 1.282 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Cl 14645246 CUJMXTUDNPINKD-UHFFFAOYSA-N 452.316 1.364 50 10 JDGE O=C(OC[C@@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](Br)[C@@H]1O)c1ccccc1 104752217 LMIWARFCLUPCMT-SFTQSGBHSA-N 490.104 1.178 50 10 JDGE biogenic CC(=NNC(=O)c1cc(Br)cn1C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 767328417 NOGHHZRFVOSGDK-UHFFFAOYSA-N 471.333 1.695 50 10 JDGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)cc1OC 1084583793 MCQYVBMRYJGBKY-UHFFFAOYSA-N 457.472 1.827 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N(CCBr)C1COC1 1915544274 JUIWRAJMMLCNPT-UHFFFAOYSA-N 459.362 1.878 50 10 JDGE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CI 1983327757 PXXQUSKZQZVWMN-JTQLQIEISA-N 462.306 1.193 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@@H]1COC[C@H]1Br 2002395635 HDSKSYXUSYPLSW-CZUORRHYSA-N 459.362 1.782 50 10 JDGE Cc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Br)sc1Br 2121367735 JHKNKSMGFAKEAF-RQJHMYQMSA-N 453.199 1.658 50 10 JDGE O=C(c1cc(I)sn1)N1CCN(CCOCCBr)CC1 2176534976 PVIYPASLTXOQLN-UHFFFAOYSA-N 474.162 1.917 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(B(O)O)c1 2247946208 GPEBRFSTUQPDKN-UHFFFAOYSA-N 452.313 1.221 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(B(O)O)s2)C1 2259430960 LQRUOJVIVYCOSV-UHFFFAOYSA-N 469.369 1.014 50 10 JDGE Cc1cc(C(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2Br)[nH]n1 12547125 LQERNWLNTJJOEN-UHFFFAOYSA-N 491.165 1.958 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccccc3[N+](=O)[O-])nnn2-c2nonc2N)c1 254841533 QDJFOFZSIOZAHB-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE COc1cc(C=NNc2nc(S[C@@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)c([N+](=O)[O-])cc1O 1084482015 WAEKRQDDPAVIOQ-VIFPVBQESA-N 478.491 1.301 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCN2C[C@@H](Br)C[C@H]2C1 2089701642 VMQUEAKCDDVCLM-HOTGVXAUSA-N 484.416 1.936 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CCC(CCl)CCl)[C@H](S(C)(=O)=O)C1 2192675042 CQJVMFWQVDKYDV-QWHCGFSZSA-N 467.437 1.422 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c1B(O)O 2255755278 MXJXKBQEHPTXCG-UHFFFAOYSA-N 480.417 1.855 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sc(B(O)O)cc2C1 2268646866 VWXWBBUIBOEIMK-SFHVURJKSA-N 473.404 1.338 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NC[C@@H]3CCCO3)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296731286 LHOKHXFDQNQIHG-LNLFQRSKSA-N 451.527 1.819 50 10 JDGE COCCOc1ccc(C=C(C#N)C(=O)Nc2cncc(C(=O)N[C@H](C)C(=O)OC)c2)cc1 2331123983 XPNAFFLSYQULJG-OAHLLOKOSA-N 452.467 1.944 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCC[C@]2(CBr)C1 2335119656 WIYFHHWFILRBLZ-IPELMVKDSA-N 489.363 1.826 50 10 JDGE COC(=O)c1cc(Nc2ncnc(NNC(=O)c3ccccn3)c2[N+](=O)[O-])cc(C(=O)OC)c1 40594111 AUTHGEGENVLXBM-UHFFFAOYSA-N 467.398 1.854 50 10 JDGE COc1ccc(NC(=O)C(=O)NN=C(C)CC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 254295410 OGHRDVQMEOWZAC-UHFFFAOYSA-N 456.455 1.934 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860769733 GAYNZQWXRWDUAR-LBPRGKRZSA-N 455.496 1.881 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2cccc(B(O)O)n2)CCN(Cc2ccccc2)CC1 2283981280 KLIKWVCGYHUOEQ-UHFFFAOYSA-N 468.363 1.650 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(CCOCCI)C2 2326653026 DKVXFJVPBPAJIJ-KRWDZBQOSA-N 470.348 1.776 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)nnn1-c1nonc1N)C1CCCCC1 263630170 KIJCUSPZMYXCCE-UHFFFAOYSA-N 497.516 1.224 50 10 JDGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CB(O)O)C(=O)O 2248874439 HQYAWIQAOXHIIY-NHCUHLMSSA-N 468.315 1.982 50 10 JDGE CC(C)(C)OC(=O)C(C[C@H](N)C(=O)O)(SSCC[C@H](N)C(=O)O)C(=O)OC(C)(C)C 71791320 VOWXRENMPMPXGH-QWRGUYRKSA-N 468.594 1.394 50 10 JDGE in-vitro CCCCCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc1 252627205 ROUMYSWIKBJMOC-UHFFFAOYSA-N 483.533 1.398 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@]1(CBr)CCCOC1 700895067 XAPOIYOAHVNYDQ-GOSISDBHSA-N 459.362 1.784 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)[C@H]3CCCCO3)cc2)cc1 1159634198 JOSNSMJHACZMEL-HXUWFJFHSA-N 459.524 1.698 50 10 JDGE O=C(NOCCCNC(=O)c1cccc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 1963589243 TWQVFEAJGDNDPX-UHFFFAOYSA-N 460.295 1.957 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@]2(C1)CN(S(=O)(=O)CI)CCO2 1983331001 UNEWTMPGMRWBGH-AWEZNQCLSA-N 460.334 1.811 50 10 JDGE CC(C)(C)OC(=O)NCC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCO1 2119486161 BZZNHLFWLXAEEL-CQSZACIVSA-N 456.403 1.706 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)c1B(O)O 2296040272 IBHDCOYTBGEIGP-INIZCTEOSA-N 452.363 1.124 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)c1 1455406072 LLQXODWMNOLSIT-NRFANRHFSA-N 458.565 1.441 50 10 JDGE CN(C[C@H](Br)COCc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)CC1 1916363953 GPEUVGWMHKPRQD-HNNXBMFYSA-N 454.408 1.806 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CI)CC12CCOCC2 1983329343 IQCZQWBGJJJPAE-LLVKDONJSA-N 460.334 1.857 50 10 JDGE COC(=O)[C@H](I)CNC(=O)Cc1ccccc1I 2027333846 MLSPYHQVWPKVIQ-SNVBAGLBSA-N 473.048 1.927 50 10 JDGE Cc1cc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c(B(O)O)s1 2255574559 CXPDUTXXKQHMCI-UHFFFAOYSA-N 450.369 1.938 50 10 JDGE COc1ccc(B(O)O)cc1S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2267380468 FTYRMDDLKUPJGE-UHFFFAOYSA-N 478.376 1.481 50 10 JDGE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)cc1 2297313166 KXIAWZPGCZUJJO-UHFFFAOYSA-N 469.475 1.356 50 10 JDGE O=C(CN1C(=O)/C(=N/NC(=O)C(=O)Nc2ccccc2C(=O)O)c2ccccc21)Nc1ccccc1 15774679 FBLHAEYBROPNRI-SGWCAAJKSA-N 485.456 1.829 50 10 JDGE C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 25720685 LANCGODCGYZJLX-NWKFZWBHSA-N 455.920 1.620 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1COC[C@H]1Br 1948499959 BAFFUNVXCHMZMP-SWLSCSKDSA-N 459.362 1.638 50 10 JDGE CN(C)C[C@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546085 XHFDPCCSUWFBJK-SJKOYZFVSA-N 464.357 1.255 50 10 JDGE OB(O)c1cc(I)c(I)cc1I 2060202559 IICYPTFSYSVSMV-UHFFFAOYSA-N 499.620 1.180 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(B(O)O)cs2)CC1 2267085116 WMBXTIJIWCZJPJ-UHFFFAOYSA-N 483.396 1.358 50 10 JDGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268651848 QGARFCMXENDXRD-JXFKEZNVSA-N 475.420 1.973 50 10 JDGE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)ccc1B(O)O 2273790951 HYEQDMKMKNBCKO-DYESRHJHSA-N 456.348 1.790 50 10 JDGE CC(C)(C)C(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CBr 31416502 LFFLFOKPBPEUNL-AWEZNQCLSA-N 483.425 1.240 50 10 JDGE COc1cc(CC(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3=C(C)C)c([N+](=O)[O-])cc1OC 1088727821 IIOHJLQATICNOJ-ICCDWZQGSA-N 459.455 1.771 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3c(F)cc(F)cc3F)cc2)CC1 1179823622 UVKWAZFYKPEXJF-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)c1 1637295307 VJOOAYCKSXZVQC-UHFFFAOYSA-N 456.471 1.983 50 10 JDGE COCC[C@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000541107 HPIHLBSGVUVVPW-PXAZEXFGSA-N 465.341 1.730 50 10 JDGE CC(C)(C)OC(=O)NC[C@@]12CN(S(=O)(=O)N3CCC(Br)CC3)C[C@H]1CCO2 2175190805 TWSKTQANVWKMKO-CXAGYDPISA-N 468.414 1.706 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc21 2268652167 DSWSMHLDGGHOKN-HRAATJIYSA-N 454.332 1.754 50 10 JDGE Cc1cc(CNC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)sc1B(O)O 2268794263 QVWJQMGUOXOEAF-UHFFFAOYSA-N 474.388 1.806 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)N2CC[C@H]1C2 2368634349 LGKHVZUJYJKMBP-LSDHHAIUSA-N 467.430 1.374 50 10 JDGE COC(=O)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 252666656 CDNCBBZPUJPFLJ-OAQYLSRUSA-N 498.520 1.434 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3cccc(OC)c3O)nnn2-c2nonc2N)cc1 254303854 ZHZIHPAXMLLMEM-UHFFFAOYSA-N 464.442 1.776 50 10 JDGE C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(Br)ccc2O)c1 1306671962 VQFGWBANYFYPLP-UHFFFAOYSA-N 452.286 1.141 50 10 JDGE COc1ccc([N+](=O)[O-])c(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860770155 VQWYNMXPGRJVQL-NSHDSACASA-N 471.495 1.961 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284059913 WMHKIESSZOMKJH-DEOSSOPVSA-N 487.431 1.864 50 10 JDGE C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)CS2 912643204 IFIUOONRMICKLT-UZLBHIALSA-N 466.585 1.076 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(I)C1 1904389350 FUVHZGKROWTNTH-UHFFFAOYSA-N 462.309 1.758 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NC[C@H]1COC[C@H]1Br 1948499859 AIXLVSFQOJCAQP-XJKSGUPXSA-N 459.362 1.782 50 10 JDGE CO[C@@H]1C[C@H](Br)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2000967912 QNJCUVXVMIPCJV-UONOGXRCSA-N 459.362 1.877 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@@H]1COC[C@@H]1Br 2048706246 KUOXENKCAULKGT-MRAWALMUSA-N 477.352 1.730 50 10 JDGE OB(O)c1cc(I)cc(I)c1OC(F)(F)F 2060034520 OLEKTXSHDONCFW-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE COC[C@]1(NS(=O)(=O)N2CCC(Br)CC2)CCN(C(=O)OC(C)(C)C)C1 2106306080 VPEUSTWBEANFFA-INIZCTEOSA-N 456.403 1.706 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)NCC1CC(Br)C1)NC(=O)OCc1ccccc1 2249442401 LOHBOWLYQLVCLY-YMAMQOFZSA-N 463.350 1.547 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B(O)O)cs1 2256626562 LKAFNTREMBDNOB-BEFAXECRSA-N 462.377 1.885 50 10 JDGE COc1cc(CNC(=O)[C@@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2260826791 HCXHQEVQHKJYQE-MRXNPFEDSA-N 474.322 1.918 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCc2ccccc2B(O)O)C1 2268793478 ZBZRRHRGHXXDLG-UHFFFAOYSA-N 454.332 1.437 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cc(B(O)O)ccc2F)C1 2287639930 WOIDNTOWCHZKAR-UHFFFAOYSA-N 481.330 1.092 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c1B(O)O 2282381595 VLHMQZIDWVHLIX-UHFFFAOYSA-N 452.363 1.124 50 10 JDGE COc1ccc(C=NNC(=O)Cn2c(=Nc3cccc(C)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)cc1 2328610715 OPTYAGBSNSBCQU-UHFFFAOYSA-N 475.509 1.067 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)cc2)cc1 14027554 BJPCQECQANIOOR-AWNIVKPZSA-N 457.508 1.986 50 10 JDGE Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2cccc(Br)c2)c2ccccc21 726497458 XZEVACTXYGRQLS-UHFFFAOYSA-N 465.329 1.680 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2121587916 NLYHMPMUDBCXOB-OYWVLEMYSA-N 489.363 1.682 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)s1 2256621469 VFQNNUUMYZDCGH-KXBFYZLASA-N 462.377 1.885 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Br)CC1 2278338322 VLSJRSQNAFBSGI-KBPBESRZSA-N 456.403 1.657 50 10 JDGE CC(C)(C)OC(=O)N1CC([C@H]2C(=O)NCCN2CCOCCI)C1 2306853244 VBFITRSVCIXDKO-ZDUSSCGKSA-N 453.321 1.105 50 10 JDGE CO[C@H]1[C@@H](CCl)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1OC 2358511013 FQMBKPZCZIHKKM-JEWRLFTDSA-N 462.927 1.294 50 10 JDGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630249 ZUDDDLKMNOLZTR-HNNXBMFYSA-N 458.540 1.999 50 10 JDGE COc1cc(/C=N/Nc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)c([N+](=O)[O-])cc1O 59881593 WAEKRQDDPAVIOQ-HURAESQDSA-N 478.491 1.301 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COCC[C@H]1Br 710860706 ZEDRPAASRWWSCJ-CABCVRRESA-N 459.362 1.781 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N(C)CCN2CCCC2)cc1 728550727 DBFWWPLYVOJNHZ-XDJHFCHBSA-N 450.543 1.895 50 10 JDGE CCC(=O)N1CCCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)CC1 920853779 FPARLBTZBHMXNZ-XDJHFCHBSA-N 478.553 1.812 50 10 JDGE Nn1c(SCCCC(=O)NN=Cc2cccnc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084540216 LGXKLXZIYITBPF-UHFFFAOYSA-N 471.459 1.893 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)c1cscc1Br 1940499160 BRDGWJCDPLGTHM-ZCFIWIBFSA-N 454.105 1.766 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)C[C@H]1CCOC1 2019202566 MQTVRDGARPYMEG-ZIAGYGMSSA-N 459.362 1.782 50 10 JDGE COC(=O)[C@@H](CCNS(=O)(=O)N1CCC(Br)CC1)NC(=O)OC(C)(C)C 2106297747 ZEAJPYFCUGQTGZ-GFCCVEGCSA-N 458.375 1.137 50 10 JDGE O=C(NOCCCNC(=O)c1cc(B(O)O)sn1)OCC1c2ccccc2-c2ccccc21 2243415513 WQUPDANUXNSTJK-UHFFFAOYSA-N 467.312 1.413 50 10 JDGE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1N 20924103 ZZFUIDBGRIOMPG-NUGSKGIGSA-N 488.553 1.525 50 10 JDGE CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c2ccccc21 39919027 SKZBZTFUVVFYFI-RUZDIDTESA-N 477.521 1.000 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(OC)cc1 1080323724 RRAGSKZXPTWQCU-SFHVURJKSA-N 494.554 1.171 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)NCc2ccccc2)cc1 1567713431 HBNUZMMMZRLNEP-HXUWFJFHSA-N 458.540 1.963 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c(=O)c23)C1 1860770010 PIQJOCIKNWNLOX-JTQLQIEISA-N 486.466 1.860 50 10 JDGE CN(CCCBr)S(=O)(=O)N1CC[C@@H](N2CCN(Cc3ccccc3)CC2)C1 2179865678 VRFGAZLDWMEKCQ-LJQANCHMSA-N 459.454 1.840 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(B(O)O)cc1F)OCc1ccccc1 2255757258 SFNRIZZTKMEYQU-UHFFFAOYSA-N 468.312 1.153 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2256621272 SDJRWTDXENDEPE-CXAGYDPISA-N 463.727 1.852 50 10 JDGE CN1CCC(CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2327800354 JKGLHMKNZRLKAW-UHFFFAOYSA-N 472.405 1.842 50 10 JDGE CCC(CBr)(CBr)NS(=O)(=O)c1nnc(NC(C)=O)s1 232877381 XSQDHWBXQIVZAB-UHFFFAOYSA-N 450.178 1.713 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=S)NCC3CCC3)CC2)cc1 1144000842 ZPCJUMNFDITNPZ-UHFFFAOYSA-N 452.602 1.585 50 10 JDGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2248416624 WPSKSPYYIXNZQD-KRWDZBQOSA-N 458.323 1.952 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc2C1 2283963312 KZAOVROIHAQKNP-JOCHJYFZSA-N 467.375 1.276 50 10 JDGE C/C(=N\NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccn1 58991634 BBDXKLBVKDDBAV-KEBDBYFISA-N 457.432 1.503 50 10 JDGE CN1CCN(CN2C(=O)C(=NNC(=O)c3cccnc3)c3cc(Br)ccc32)CC1 254403522 CGEZAEQMXQHUCR-UHFFFAOYSA-N 457.332 1.530 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc(O)cc3O)nnn2-c2nonc2N)cc1 254439983 ICYBCDGXABWVNT-UHFFFAOYSA-N 450.415 1.473 50 10 JDGE COc1cc(OC)c(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c(OC)c1 263622458 ZUZQCNWFURGVPG-UHFFFAOYSA-N 478.469 1.998 50 10 JDGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2c(OC)cccc2S(C)(=O)=O)ccc1F 1633552842 WBTRRKRVHCLLDU-UHFFFAOYSA-N 457.505 1.459 50 10 JDGE CC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](O)[C@@H]3OC(C)(C)O[C@H]32)N(C)C1 1848439083 OCZLAKAMOSUOEB-ORZTYAHLSA-N 451.029 1.798 50 10 JDGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1865757532 HUNSWSAYWJVEPR-UHFFFAOYSA-N 450.480 1.988 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CI)C[C@]12CCCOC2 1983330992 UMIIQUQEXJEOCJ-FZMZJTMJSA-N 460.334 1.857 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@@H]21 2022219685 JDZYISUDYXXMMY-VBNZEHGJSA-N 457.346 1.487 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2022816326 YCLCHQDGMMNWMX-RDBSUJKOSA-N 481.637 1.350 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OC[C@@H](CBr)[C@@H]2C1 2057886460 ZTRBDJSIGIWYMD-COXVUDFISA-N 471.373 1.734 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2132545943 YQHMHFNXFODWRI-HALDLXJZSA-N 485.400 1.980 50 10 JDGE Cc1nc(I)c(I)n1Cc1ccc(CC(=O)NN)cc1 2145234429 OXKRDDYWYGOBGX-UHFFFAOYSA-N 496.090 1.981 50 10 JDGE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNS(=O)(=O)N3CCC(Br)CC3)O2)C1 2162589430 QDTLANOGQZEIME-AWEZNQCLSA-N 468.414 1.849 50 10 JDGE CCCOc1c(OC)cc(C=NNC(=O)c2cc(C)nn2-c2nnc(C)c(O)n2)cc1OC 2323665428 QEJCNMUEOUMLIO-UHFFFAOYSA-N 455.475 1.950 50 10 JDGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(F)c2)c1Cc1ccc([N+](=O)[O-])cc1 27498462 ZUNQHSAIFUZLBL-LSHDLFTRSA-N 451.378 1.635 50 10 JDGE CC(C)C(=O)Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]3O)c2[nH]1 199942174 RUKACXRBRJHKDV-GNTLTTKYSA-N 467.599 1.355 50 10 JDGE CN(C)c1ccc(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 1084258837 GAFQHBQAZIQSJG-UHFFFAOYSA-N 485.486 1.784 50 10 JDGE Cc1sc2ncn(CC(=O)NNS(=O)(=O)c3ccc(OC(C)C)cc3)c(=O)c2c1C 1860770847 ZLFZLSWJUHNUIU-UHFFFAOYSA-N 450.542 1.872 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cccc(B(O)O)c2F)C1 2282326581 VDZSBHAKDQFLQB-GOSISDBHSA-N 471.338 1.357 50 10 JDGE CCOc1cc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc(Cl)c1OCC(C)C 169892020 ZMEIZTKJBOTNHR-IFRROFPPSA-N 455.924 1.788 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC1 2162599488 FIZXYRLGXOQCCR-DZGCQCFKSA-N 470.430 1.688 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ncccc2B(O)O)CC1 2223666398 LYKIMRMLGZBWDT-UHFFFAOYSA-N 450.345 1.056 50 10 JDGE Cc1scc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c1B(O)O 2320448667 UKEMJMMGPGXVQO-UHFFFAOYSA-N 469.369 1.581 50 10 JDGE COc1ccc(C=NOCC(=O)NN=C2C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC 254633767 PZZSGDZEUIGYHW-UHFFFAOYSA-N 481.509 1.211 50 10 JDGE Nn1c(SCC(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084023726 VCPHXIFPKFBGED-UHFFFAOYSA-N 487.414 1.626 50 10 JDGE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NNc2ccc(Cl)cc2)n[nH]1 1084102174 GBTZZXCLVVHIBK-UHFFFAOYSA-N 463.955 1.945 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)NC[C@@H]2CCCO2)cc1)NCCc1ccccc1 1084168378 CFMVGTPEPKROSP-NRFANRHFSA-N 452.511 1.170 50 10 JDGE CCN(CC)c1ccc(C=NNc2nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]2)cc1 1084232402 JNYFNWZQDJKOFL-UHFFFAOYSA-N 458.470 1.899 50 10 JDGE CCCOc1c(OC)cc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc1[N+](=O)[O-] 2323157643 CRRBZWHQUNEMMY-SECBINFHSA-N 452.449 1.619 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2338848706 ZLXJYVNACQVLTI-HZPDHXFCSA-N 462.977 1.167 50 10 JDGE CCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1OC 254814103 XYMLWLTVXCMEHF-UHFFFAOYSA-N 492.452 1.799 50 10 JDGE CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2cccnc2)c(OC)c1 1084316413 HBJZWUWOYQOLGW-OAQYLSRUSA-N 467.482 1.810 50 10 JDGE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)N1CCC(Br)CC1 2106295040 CLZZNBBHMKDVAZ-CQSZACIVSA-N 455.419 1.231 50 10 JDGE Cc1ccc(B(O)O)cc1S(=O)(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2267384869 GMHKKAXFNRNMKU-UHFFFAOYSA-N 476.360 1.417 50 10 JDGE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1c(Cl)cccc1B(O)O 2282731583 SKNXEVFHUANOHK-OAHLLOKOSA-N 452.725 1.051 50 10 JDGE COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2=O)cc1 102314197 ALCOLPPPSHOONR-IBGZPJMESA-N 472.523 1.046 50 10 JDGE CCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1 254401542 BMWUYASTSXMSEB-UHFFFAOYSA-N 462.426 1.791 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Br)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1775955290 GRDUQQNEXMJRRS-KFGODFMUSA-N 498.282 1.198 50 10 JDGE in-vitro CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H](CBr)C1 1942096796 DFOGVAHQCYEVHT-CQSZACIVSA-N 458.378 1.404 50 10 JDGE CC(C)(C)OC(=O)NC[C@@]12CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]1CCO2 2175190808 TWSKTQANVWKMKO-SUMWQHHRSA-N 468.414 1.706 50 10 JDGE O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(F)cc2Br)[C@@H](Br)C1 2177848996 NVRSBZBLORZLDH-IUCAKERBSA-N 451.133 1.427 50 10 JDGE CCS(=O)(=O)CCN(C)S(=O)(=O)c1cc(CBr)oc1Br 2179792742 KEUAGGWFIPQZDH-UHFFFAOYSA-N 453.174 1.992 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B(O)O 2268635821 WDJJPGDIZVHLKQ-DYESRHJHSA-N 456.348 1.524 50 10 JDGE CN(C[C@]1(Oc2ncc(B(O)O)cn2)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2270912679 NGEAGWQWVPHWGJ-HSZRJFAPSA-N 456.352 1.437 50 10 JDGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283970336 TVLJDBSQXAQKJP-YJBOKZPZSA-N 490.387 1.974 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1C[C@]2(NS(=O)(=O)N3CCC(Br)CC3)CO[C@H]1C2 2334245640 UWFHEWJQBYYUOV-HEHGZKQESA-N 454.387 1.505 50 10 JDGE O=C(CCC(=O)NNC(=S)NC(=O)COc1ccc(Br)cc1)NCc1ccccc1 12572190 NKASWDWGUQMKPB-UHFFFAOYSA-N 493.383 1.946 50 10 JDGE COc1ccc(/C=N/NC(=O)C2=CCN(NS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 38817787 VYZVTNQAPBMVGT-HZHRSRAPSA-N 471.539 1.629 50 10 JDGE CC(=O)N1CC[C@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc21 1312304206 JWPNGQJLRMBTOS-SFHVURJKSA-N 459.528 1.379 50 10 JDGE CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1618586174 UNEWPVDDXFFZQM-FQEVSTJZSA-N 458.540 1.327 50 10 JDGE OB(O)c1cc(I)c(Br)c(I)c1 2059985033 RYPHQWIZZMBCAI-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE O=S(=O)(NCCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(B(O)O)cc1F 2255770579 VIHGPWZLXWKFSY-UHFFFAOYSA-N 456.348 1.876 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c(F)cccc2B(O)O)C1 2282227857 KTIVSFIBKMBIBG-SFHVURJKSA-N 471.338 1.357 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 2313862760 ZLZXXQLVZGUFQZ-UHFFFAOYSA-N 460.468 1.970 50 10 JDGE COc1ccc(OC)c(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860770632 QFFIXEFCXZFFJQ-LBPRGKRZSA-N 492.579 1.925 50 10 JDGE CO[C@@H]1C[C@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2067189277 PVICLCXGHUSFKJ-DQADVMEASA-N 477.352 1.871 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCN(CCBr)C1 2108244624 RCQBDYRXKNDVOG-AUUYWEPGSA-N 490.395 1.790 50 10 JDGE N#CC(=Cc1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296718433 CHHYBXRHVBQENI-MRXNPFEDSA-N 450.476 1.697 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)ccc1O 254828374 KNLNBJHKMMUCDP-UHFFFAOYSA-N 464.398 1.106 50 10 JDGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 751280244 DCPHJGUXQNBUBH-IBGZPJMESA-N 476.580 1.787 50 10 JDGE C#CC[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1312322741 FJCCSTWPPNUXHK-FQEVSTJZSA-N 456.524 1.416 50 10 JDGE CC(=O)N(c1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1)C1CC1 1670566377 QWQIDPQHOKYSRN-UHFFFAOYSA-N 459.528 1.919 50 10 JDGE CN(C)c1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961596 MEKHACPIXUOMQV-ZWKOTPCHSA-N 450.543 1.882 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)cc1 2268651501 WZAKQLSZVRHYJJ-OAQYLSRUSA-N 455.364 1.350 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NNC(=O)c1ccc(F)cc1 20923021 SKZCOFLZJBZISR-UHFFFAOYSA-N 466.502 1.950 50 10 JDGE CCC(=O)NNC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253566893 JMVCGFLNWZVSJB-SRZZPIQSSA-N 470.563 1.460 50 10 JDGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)[C@H](O)c1ccccc1 1084088413 OCIMHLJKTHZPES-JOCHJYFZSA-N 468.469 1.883 50 10 JDGE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)NNC(=O)C(F)(F)F 1084616783 LEJMFKRCBSEEOL-UHFFFAOYSA-N 468.421 1.099 50 10 JDGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 1557655642 JRSBSSBGKUJJNU-OUQXZNHLSA-N 454.918 1.723 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 1873777331 FONLIIRSAYXFRL-HNNXBMFYSA-N 480.481 1.748 50 10 JDGE CC(C)(C)OC(=O)NC1(C2CCN(S(=O)(=O)CI)CC2)COC1 1993134138 VBUAYJPVMRZJSI-UHFFFAOYSA-N 460.334 1.714 50 10 JDGE Cn1ncc([C@H](Br)CS(=O)(=O)N2CCOCC2)c1I 2089388735 GTAOTWPDPBIVCG-SECBINFHSA-N 464.123 1.123 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCc2cccc(B(O)O)c2)CCN(Cc2ccccc2)C1 2205479989 IUOKKJSXVSLILC-VWLOTQADSA-N 467.375 1.195 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2COC[C@]2(CBr)C1 2219057300 NPJQZOGYVDFTMD-LIRRHRJNSA-N 471.373 1.736 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNS(=O)(=O)N2CCC(Br)CC2)C1 2237819810 HPMVWSDEPDIEKL-GUYCJALGSA-N 468.414 1.706 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)c(F)c1)Cc1ccccc1 2255884037 QUTGMHPGXSNNSV-UHFFFAOYSA-N 456.348 1.828 50 10 JDGE Cc1cc(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc(C)c1B(O)O 2267445653 HIEDDXXLDGUXLO-UHFFFAOYSA-N 465.356 1.131 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3scnc3C)CC2)cc1 729452461 MSJOJZJYLJICIE-UHFFFAOYSA-N 450.542 1.516 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H]1CBr 2000545813 VLJSULPXHDZQSO-SJCJKPOMSA-N 463.325 1.436 50 10 JDGE Cc1oc(B(O)O)cc1C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2266861077 UQSCQQMPXLKBHZ-UHFFFAOYSA-N 469.344 1.196 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B(O)O 2268643727 JMCDUGZLMHNGQM-NRFANRHFSA-N 455.364 1.050 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B(O)O)c(F)c1F 2268646059 SATWUPHRQANDLX-KRWDZBQOSA-N 463.290 1.608 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268648382 YKZSSBBMTNQIPY-QRWLVFNGSA-N 458.320 1.812 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2)CC1 15092922 UIUOLSMSQUBSIW-UHFFFAOYSA-N 483.550 1.106 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(N/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 217004855 AKNZEAZFYSLPCB-QBFSEMIESA-N 458.452 1.365 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 254300657 HQDAEXXCJIWCOM-LBPRGKRZSA-N 468.478 1.669 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(I)c(O)c1 2121337243 LQMDUFVTMPFGEM-APPZFPTMSA-N 460.087 1.287 50 10 JDGE CC(C)(C)OC(=O)NC1CC(Oc2ncc(Br)cc2B(O)O)(C(F)(F)F)C1 2240285507 UZBYTBAFGXTBOI-UHFFFAOYSA-N 455.036 1.891 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B(O)O)ccc1F 2268653373 LZZRSXNDMVSGBZ-QRWLVFNGSA-N 460.311 1.620 50 10 JDGE O=S1(=O)CCC(S(=O)(=O)N[C@H](CCBr)COCc2ccccc2)CC1 2320354063 GFAFYAGJNMSTNJ-OAHLLOKOSA-N 454.408 1.853 50 10 JDGE CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749112505 GCLDKDCOGMSBIT-WMLDXEAASA-N 467.569 1.915 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(C(C)=NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1 915907115 AAWBRWKZSRZKDH-UHFFFAOYSA-N 455.544 1.911 50 10 JDGE CC(=O)N(CCc1ccccc1)CC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1 1124196138 DWNVSPIDMUQFLN-UHFFFAOYSA-N 451.571 1.437 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)Cn1ccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 1144730230 NFVITKJLYNIANQ-JOCHJYFZSA-N 456.524 1.244 50 10 JDGE CC(=O)N/C(=C/c1ccccc1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1295261661 RQTYWEZITGLGIM-LTGZKZEYSA-N 457.556 1.243 50 10 JDGE C=CCNC(=O)c1ccc(NC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1 1476012457 JDKYPFOSZWUHBM-UHFFFAOYSA-N 450.543 1.967 50 10 JDGE CN(C)C[C@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942099282 TXKMFNTVWHDTES-CQSZACIVSA-N 460.394 1.697 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@H]21 2046022077 HNAHLDWOINPGSN-FSZRXZPDSA-N 475.336 1.435 50 10 JDGE COc1ccc(B(O)O)cc1C(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2266936821 LEMYUWGUADFLMC-UHFFFAOYSA-N 456.304 1.568 50 10 JDGE CN(Cc1sccc1B(O)O)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2268637111 AUEBEDYAWRVOEL-KRWDZBQOSA-N 476.360 1.413 50 10 JDGE COc1cccc(B(O)O)c1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2282317694 VDKKMGVXMWHLOX-UHFFFAOYSA-N 479.339 1.220 50 10 JDGE CN1CCN(Nc2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])CC1 40623666 RIVCOQNISAHXRQ-UHFFFAOYSA-N 451.831 1.278 50 10 JDGE COc1ccc(Br)cc1C=NNc1nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]1 1084182466 YLLXCOMCMNGVTL-UHFFFAOYSA-N 496.269 1.824 50 10 JDGE CN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H](CBr)C1 2029212914 OLTRQYXBPVBXMM-OAHLLOKOSA-N 472.405 1.794 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)[C@@H](C(F)(F)F)C1 2240344036 AZPCQPUXWZDNLM-LLVKDONJSA-N 454.052 1.512 50 10 JDGE CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2248894624 JIYCXEUHQCWCHG-LJQANCHMSA-N 480.355 1.532 50 10 JDGE CN(Cc1sccc1B(O)O)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256599025 SPFVFOJINZUNQX-KRWDZBQOSA-N 462.377 1.887 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCCc1ccccc1B(O)O 2268708261 YUYANEPNUKEOTL-HXUWFJFHSA-N 456.348 1.525 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2cc(B(O)O)ccc2C1 2268710809 JPWYUAZADAYFIM-NRFANRHFSA-N 454.332 1.361 50 10 JDGE CC(C)n1cc(B(O)O)cc1C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2282249513 JRQHVAPMXLJCKF-UHFFFAOYSA-N 482.387 1.240 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2c(F)cc(F)cc2B(O)O)C1 2282736164 LWZSKRCBRPCXAI-UHFFFAOYSA-N 498.313 1.386 50 10 JDGE C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1nscc1B(O)O 2283953198 QCDLBFHAZNFRQK-INIZCTEOSA-N 488.419 1.560 50 10 JDGE C=C(C)[C@@H](CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC 1349743553 COFPNZGHZDGNFB-LJQANCHMSA-N 453.561 1.159 50 10 JDGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Br)c(=O)n(C)c2)cc1 1668018159 FMHLFGPJTHOXQN-NSHDSACASA-N 451.277 1.971 50 10 JDGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NNc3ccc(C#N)cn3)cc2)CC1 1668243476 NORZFCPPEPPBEA-UHFFFAOYSA-N 451.531 1.365 50 10 JDGE O=C(N(CC(F)F)[C@@H]1CCCN(S(=O)(=O)CI)C1)C(F)(F)F 1983333049 DCMNWRNSALZUHQ-SSDOTTSWSA-N 464.194 1.829 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H](Br)C1 2000532649 LKGXWKKSBRARDM-SJCJKPOMSA-N 463.325 1.436 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(C1)OCCC[C@H]2Br 2108229630 GBELYFAFGWKIEZ-QAPCUYQASA-N 489.363 1.969 50 10 JDGE C[C@H](Cl)CN1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2176856214 QIJOWNKYVJVMAC-YWZLYKJASA-N 459.971 1.976 50 10 JDGE CC1(C[S@@](C)(=O)=Nc2ncc(Br)cc2B(O)O)CN(C(=O)OC(C)(C)C)C1 2240341225 JVFCPYRPKMGPMF-HHHXNRCGSA-N 462.175 1.510 50 10 JDGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2243662677 CPQFXJPUSWELCR-GOSISDBHSA-N 466.328 1.142 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cscc2B(O)O)C1 2255453134 FBHMVIBGSYLLEG-QGZVFWFLSA-N 459.377 1.279 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)N(C)C[C@H]1C[C@@H](Br)C1)NC(=O)OCc1ccccc1 2258179605 OSGVTYYLPHLNIC-OWCLPIDISA-N 477.377 1.890 50 10 JDGE Cc1cc(B(O)O)ccc1S(=O)(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2267621346 GAQCLVCHAKXRMW-UHFFFAOYSA-N 476.360 1.417 50 10 JDGE C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2268639282 NGMUHVBVSZSLHH-BBRMVZONSA-N 477.348 1.027 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N1C[C@@H](C)N(C(=O)OCc2ccccc2)[C@H](C)C1 2282362841 KAVUHHWKHYALPA-ZIAGYGMSSA-N 452.363 1.156 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)NCc2ccc(B(O)O)s2)CCN(Cc2ccccc2)CC1 2283952401 ICNFYLNHLVDIBW-UHFFFAOYSA-N 487.431 1.994 50 10 JDGE N#CC1=C(N)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 1762788 HRPMQURERTYCRG-VPDFPHFYSA-N 472.442 1.678 50 10 JDGE C/C(COc1ccccc1)=N/NC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O 33568325 OEKSEWFNVTUWCS-ZMFRSBBQSA-N 490.484 1.128 50 10 JDGE COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1I 59449451 AKDVXBBNADNUKV-UHFFFAOYSA-N 477.236 1.831 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Cl)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 256072917 YRXSTYGMBJFQAY-TZNCUMHOSA-N 453.831 1.041 50 10 JDGE C[C@@H](Br)CN1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2003874411 HSRYRMOGWWPIPD-CQSZACIVSA-N 458.378 1.404 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(B(O)O)cs2)C1 2255764252 YZTPDINHXAUEKB-GOSISDBHSA-N 459.377 1.279 50 10 JDGE N#CC(=Cc1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 2296718429 BSFQJKYETXNHQK-HNNXBMFYSA-N 468.466 1.836 50 10 JDGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1 254439170 MRCQQVUWHNSSLK-UHFFFAOYSA-N 455.548 1.950 50 10 JDGE COC[C@H](CCBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543154 MLWLHTDACSKKTD-YVEFUNNKSA-N 465.341 1.730 50 10 JDGE Cn1cc(Br)c(S(=O)(=O)N2C[C@H](Br)[C@H](Br)C2)n1 2019462063 VZMIKLDWFQLRQV-OLQVQODUSA-N 451.966 1.714 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCN2C[C@@H](Br)C[C@@H]2C1 2089701644 VMQUEAKCDDVCLM-JKSUJKDBSA-N 484.416 1.936 50 10 JDGE C[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2106780763 BKVFQYYIJFGSJX-FOGDFJRCSA-N 450.321 1.868 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2sc(B(O)O)cc2C1 2256677793 ZWWSBEFRPNPQAD-KRWDZBQOSA-N 460.361 1.423 50 10 JDGE COC(=O)[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2303532651 RGRMORVZXKGIRU-CQSZACIVSA-N 461.334 1.309 50 10 JDGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40658119 FITNLRGGIDCQSC-UHFFFAOYSA-N 452.387 1.736 50 10 JDGE C/C(=C/CO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@](C)(CO)CCC[C@@]12C 1615257433 IQHRODLFQNPIDT-BIUIHRQYSA-N 468.587 1.234 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)c1 1644838267 PQSKNUHZNIBXCU-UHFFFAOYSA-N 455.565 1.847 50 10 JDGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1cc2ccccc2oc1=O 1860771098 JSPWTHDCKZKMSH-UHFFFAOYSA-N 450.476 1.904 50 10 JDGE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1nnc(CBr)s1 1989687614 UKDGZEXMGYOVQO-VIFPVBQESA-N 459.347 1.710 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c2C1 2283958133 WCIHWGBSKCBAOE-HTAPYJJXSA-N 468.359 1.750 50 10 JDGE BrCCOCCN1CCN(Cc2ncc(I)cn2)CC1 2381294211 VPTLTHUIIUJKPH-UHFFFAOYSA-N 455.138 1.610 50 10 JDGE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1 20899455 NIIWWBRGSCXOQB-MRXNPFEDSA-N 472.350 1.988 50 10 JDGE C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NN3CCOCC3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253624521 FBQSKFBDDWKIAP-ISSHLEGWSA-N 468.547 1.881 50 10 JDGE COc1cc(C=CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1OCC#N 2042446243 KOLZTQJUMCBOES-UHFFFAOYSA-N 472.523 1.387 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCOc1ccc(B(O)O)c(C(F)(F)F)n1)C(=O)OC(C)(C)C 2240287862 UKYBCJLXEOWEFM-UHFFFAOYSA-N 493.288 1.921 50 10 JDGE C[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256622627 JULXWTSVQATZNH-RHSMWYFYSA-N 462.381 1.025 50 10 JDGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)cc1 254752543 NXXYMMQIWFLEER-UHFFFAOYSA-N 487.527 1.119 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)N1CCC(Cl)CC1 2212656324 SCMWVXIZQCKWSO-UHFFFAOYSA-N 471.020 1.942 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CBr)C1 2217080182 GMSZUINKHYQLHX-UGSOOPFHSA-N 457.346 1.488 50 10 JDGE CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)cc1 58988598 GAFQHBQAZIQSJG-UFFVCSGVSA-N 485.486 1.784 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c1 1644013908 VZFHYIPHTQAFRV-QVKFZJNVSA-N 478.596 1.267 50 10 JDGE Cc1cc(S(=O)(=O)N2C[C@H](C)N(C(=O)OCc3ccccc3)[C@H](C)C2)sc1B(O)O 2282371902 QSSMTQCYVPCNOA-GASCZTMLSA-N 452.363 1.156 50 10 JDGE Cc1cc(F)c(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2285926557 UYGGXIXVLKUPHE-UHFFFAOYSA-N 481.330 1.659 50 10 JDGE O=C(CSc1n[nH]c(N/N=C/c2ccc([N+](=O)[O-])cc2)n1)NNC(=O)c1ccc(F)cc1 20923181 YRGUGGNJGWRVSM-AWQFTUOYSA-N 458.435 1.851 50 10 JDGE Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 39919033 OEBJOJLXHIZQQQ-VWLOTQADSA-N 461.522 1.228 50 10 JDGE CC(=NNC(=O)CCOc1ccccc1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729820059 WWEFMTCBTRGZLP-UHFFFAOYSA-N 453.542 1.722 50 10 JDGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C\c2cc(C)n(C[C@H]3CCCO3)c2C)CC1 1292889826 MIVQIWAZSQWGOP-UAPYWLNTSA-N 451.571 1.475 50 10 JDGE Cc1cc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2256679482 XAXQWYLCVKVRRC-QGZVFWFLSA-N 462.377 1.853 50 10 JDGE Cc1sc(CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2283967262 APVVXXHKBXWFSW-KRWDZBQOSA-N 490.387 1.688 50 10 JDGE CC(C)(C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 731178619 SXIUYGSQDLSBPO-UHFFFAOYSA-N 451.570 1.758 50 10 JDGE N#CCOc1ccc(C=NNC(=O)c2nonc2C(=O)NN=Cc2ccc(OCC#N)cc2)cc1 1083865885 DYPFEEGUEHSPKI-UHFFFAOYSA-N 472.421 1.402 50 10 JDGE C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Br)ccc2O)cc1 1457679816 HXMOUUPZDSIWKT-UHFFFAOYSA-N 454.302 1.694 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1872962158 QMMWHJMPVVOPRO-JKSUJKDBSA-N 451.483 1.545 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1cccc(B(O)O)c1 2140552206 XVISUZOZYUFWHW-DYESRHJHSA-N 456.348 1.524 50 10 JDGE C[C@H]1CN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C[C@@H](C)N1C(=O)OCc1ccccc1 2195882977 GKOXVQCWQVESNR-CIRFHOKZSA-N 457.980 1.238 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCc2cnc(B(O)O)s2)C1 2268666524 KIDQYKMSDWVNLV-QFIPXVFZSA-N 475.376 1.283 50 10 JDGE Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)cc1B(O)O 2281728038 ZPWJFYGXLOIFGQ-OAQYLSRUSA-N 467.375 1.526 50 10 JDGE CC(C)Oc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 263630360 FJUCFEJMQQHFGT-UHFFFAOYSA-N 483.518 1.204 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)NCC(F)(F)F)cc1 1634169071 VRONMSMGQSEZCU-CQSZACIVSA-N 450.439 1.325 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(C2CCN(S(=O)(=O)CI)CC2)C1 1983443115 RYUQJDJYVWMCHP-UHFFFAOYSA-N 460.334 1.403 50 10 JDGE C[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2009333691 LYETXOXINNLRLF-ZIAGYGMSSA-N 459.362 1.877 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC[C@H]1CO 2122367193 FCWHFUPMRRUWQQ-JSGCOSHPSA-N 456.403 1.298 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2128868393 KCYBQOGKUZXPDA-GJZVTGKDSA-N 489.363 1.967 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256679899 OJVSVXWBSRJKPU-WMLDXEAASA-N 463.365 1.452 50 10 JDGE Cc1cc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc(B(O)O)c1 2268716956 HWLIQESCXYOCSZ-XMMPIXPASA-N 453.348 1.783 50 10 JDGE O=C(N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(B(O)O)c2)C1)OCc1ccccc1 2296004174 VJEHZGVOXJVWLH-HNNXBMFYSA-N 452.725 1.099 50 10 JDGE Cc1scc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1B(O)O 2343501893 IEPFCKSRYBOQAU-UHFFFAOYSA-N 483.396 1.323 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(N)=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118913810 GFJQQPYCTIQFPJ-QQVDTQRJSA-N 461.559 1.353 50 10 JDGE biogenic,in-vitro CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)CC1 727302473 KXBAWEHAYHVQAG-UHFFFAOYSA-N 472.567 1.815 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)NCCc2ccccc2)cc1)NC[C@@H]1CCCO1 1084555552 GEKPJNWQSUGOQN-NRFANRHFSA-N 452.511 1.170 50 10 JDGE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1227480586 VTRZOYLZXWTMJX-IEBWSBKVSA-N 450.561 1.786 50 10 JDGE C#Cc1ccc(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1311302451 FUMRUIJIHLIDCZ-UHFFFAOYSA-N 456.524 1.474 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3c(F)cccc3F)ccc2F)CC1 1632210993 OAIDRPZXUBZORC-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE CN(C)C[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000545078 QWEHOUJBBMEQLI-PXAZEXFGSA-N 464.357 1.255 50 10 JDGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ncc(B(O)O)cn1 2214658875 QGWAJABPFWNVNK-OAQYLSRUSA-N 460.299 1.658 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(B(O)O)cccc21 2268651838 QDLWUXNEYRUYOE-FQEVSTJZSA-N 453.348 1.281 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)s1 2268710085 GOCFFXBSGMQCLG-QHCPKHFHSA-N 473.404 1.522 50 10 JDGE NC(=O)c1ccccc1NCc1c(C(=O)NN=Cc2c[nH]c3ccccc23)nnn1-c1nonc1N 254578412 CVGASUOLADFIGY-UHFFFAOYSA-N 485.468 1.189 50 10 JDGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2C1=O 1530291947 OVTSSFDQHYCKNP-UHFFFAOYSA-N 456.499 1.877 50 10 JDGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)Cn1cnc2sc(C)c(C)c2c1=O 1865852448 XDCKDHHCIAEEKG-UHFFFAOYSA-N 455.525 1.758 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2022219683 JDZYISUDYXXMMY-DAXOMENPSA-N 457.346 1.487 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCC(Br)CC2)[C@H]2CS(=O)(=O)C[C@@H]21 2163052035 YYNWPVAUEXOADW-KBPBESRZSA-N 466.398 1.684 50 10 JDGE CN(Cc1ccccc1B(O)O)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283950808 PCQBUIQDZOARRR-RUZDIDTESA-N 467.375 1.494 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc2C1 2283955256 DHCQRTZDNYAHDV-VGOFRKELSA-N 468.359 1.750 50 10 JDGE COc1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)C(C)C)n[nH]2)cc(OC)c1OC 20909923 UFBVKRLGSPUYCR-UFWORHAWSA-N 451.509 1.172 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCOC[C@H]1Br 706726680 GJHWOCVFMZSBPC-HUUCEWRRSA-N 459.362 1.781 50 10 JDGE O=C(NNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C1CCN(c2ncccn2)CC1 728844922 AUPAWAITOAWRCD-MRXNPFEDSA-N 478.600 1.145 50 10 JDGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCO2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859003215 GXAIUFHAYAGUAX-SFHVURJKSA-N 463.468 1.910 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCOCC2)[C@H]2CS(=O)(=O)C[C@@H]21 2163064311 UDMMECZYUMHVGB-GJZGRUSLSA-N 467.426 1.896 50 10 JDGE Cc1ccc(I)c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Br)c1 2232164606 IUJGZOXREYELEQ-GXSJLCMTSA-N 458.115 1.890 50 10 JDGE CCCn1cc(B(O)O)cc1C(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2247754672 ADUOMBQUGMXAKN-UHFFFAOYSA-N 461.327 1.846 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2cscc2B(O)O)C1 2247882346 NODBJIACPGGOBF-UHFFFAOYSA-N 468.362 1.170 50 10 JDGE CCn1cc(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2266951917 ACFXPKUCNHLACY-UHFFFAOYSA-N 466.344 1.033 50 10 JDGE CN1C[C@@H](Br)[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316819531 ZRIQHGVSCDDGCH-IAGOWNOFSA-N 472.405 1.840 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2sc(Cl)cc2B(O)O)CCN(Cc2ccccc2)C1 2343827923 PNPSCTQPEDHFIG-QFIPXVFZSA-N 493.822 1.867 50 10 JDGE Cn1cc(C(=O)NNC(=O)CCc2nc(=O)c3cnn(-c4ccccc4)c3[nH]2)c2ccccc21 10736758 CCZDYVSPWHYBDX-UHFFFAOYSA-N 455.478 1.994 50 10 JDGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 13977381 KKAICOUGHDFGHI-ONNFQVAWSA-N 460.468 1.726 50 10 JDGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(C(=O)OCCC)cc1 14022050 IDZWSBPIABSXHZ-UHFFFAOYSA-N 453.517 1.388 50 10 JDGE CN1CCN(Nc2ncnc(NNC(=O)COc3ccc(Cl)cc3Cl)c2[N+](=O)[O-])CC1 40623703 NNAMLTNAUFKHIO-UHFFFAOYSA-N 471.305 1.788 50 10 JDGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(=O)n(C)cc2Br)cc1 1220289523 GXGNXYMQDZCIGH-NSHDSACASA-N 451.277 1.971 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCOCCBr 2000544830 QAUVGBBNFDIWNC-KRWDZBQOSA-N 465.341 1.732 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2c(F)cccc2B(O)O)CCN1C(=O)OC(C)(C)C 2266945691 LYZCBYFGPHDUIQ-UHFFFAOYSA-N 467.303 1.351 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2cc(B(O)O)cn2C2CC2)C1 2267365418 OQZNQFYWTUOXMK-UHFFFAOYSA-N 455.320 1.696 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3ccc(OC)c(OC)c3OC)nnn2-c2nonc2N)c1 254806556 ZUMAMVDCFKBVPF-UHFFFAOYSA-N 494.468 1.698 50 10 JDGE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NNC(=O)c3cccc4cccnc34)CC2)C1 731222077 LUIJLSLPJNNKPD-IEBWSBKVSA-N 452.559 1.902 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccccc2Br)s1 1540358705 NOFFLMKCOGEZDD-UHFFFAOYSA-N 458.359 1.979 50 10 JDGE C=CCN(CC=C)[C@@H](CNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)C(C)C 1665695094 DYQZTXGULNARFH-KRWDZBQOSA-N 450.609 1.931 50 10 JDGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cc(Br)cn(C)c2=O)cc1 1667661827 IDOJILCRVMKAKB-NSHDSACASA-N 451.277 1.971 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B(O)O)cc2C1 2268649652 DXSCQFNEYGDCGK-OAQYLSRUSA-N 453.348 1.234 50 10 JDGE Cc1sc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)cc1B(O)O 2282477458 QBGLMUAAGCSDHY-UHFFFAOYSA-N 497.423 1.666 50 10 JDGE CCOCCC(=O)NNC(=S)NC(=O)c1ccc(OC)c(I)c1 14663504 VADOPXBUZGYPRE-UHFFFAOYSA-N 451.286 1.362 50 10 JDGE Cc1[nH]c(C(=O)NN=Cc2ccc(O)c(O)c2)c(C)c1C(=O)NN=Cc1ccc(O)c(O)c1 254519704 ZIOKWNQNEAKXNC-UHFFFAOYSA-N 451.439 1.982 50 10 JDGE COc1c(F)cc(CC(=O)NNC(=O)c2c(Cl)cccc2Cl)cc1S(N)(=O)=O 727805104 XXQMJIBUQBIBFC-UHFFFAOYSA-N 450.275 1.792 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCN(CCBr)CC1 2029232975 NPOGDHVVUSBGOY-UHFFFAOYSA-N 472.405 1.795 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@@H]2CCN(S(C)(=O)=O)C2)C1 2244066951 RPMYJMUBVLCHRW-WOPDTQHZSA-N 460.334 1.460 50 10 JDGE N#CC(=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 2314435462 KODPLLIQCUNSAY-SFHVURJKSA-N 465.510 1.240 50 10 JDGE N#CC(=CNCCN1CCNCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324603042 ZWKJHUGJGJRJBA-UHFFFAOYSA-N 458.610 1.822 50 10 JDGE COc1cc(C(=O)NCC(=O)NN=Cc2ccc(OC)c(OC)c2OC)cc(OC)c1OC 254415183 NICJZONWLFRZEP-UHFFFAOYSA-N 461.471 1.618 50 10 JDGE N=C1N=C([C@@H]2CCNC(=O)C3=NC(Br)=C(Br)[C@H]32)[C@@H](Br)N1 604933994 BNSZOWGZZQSFNA-AARYXTGUSA-N 467.947 1.852 50 10 JDGE CCOc1cc(C=NNC(=O)C(=O)NCc2ccco2)cc(I)c1O 1083909571 DRNZJEOVCBMEJO-UHFFFAOYSA-N 457.224 1.755 50 10 JDGE C=CC(=O)N1CCC(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)(c2ccccc2)CC1 1444234331 QGMRJJFWGVWNPX-UHFFFAOYSA-N 459.547 1.588 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1COCC[C@@H]1Br 1942090084 UDRKMUXQVZTGDD-JKSUJKDBSA-N 459.362 1.925 50 10 JDGE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CI)C2)CC1 1983327080 IHNXXJKJHQTPIA-GFCCVEGCSA-N 459.350 1.336 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@H](CCBr)C1 2052686004 CKANHGJUDWLMBT-FZKQIMNGSA-N 477.352 1.826 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B(O)O 2256620738 MDADEOYUNBUKHG-BEFAXECRSA-N 462.377 1.885 50 10 JDGE O=C(NC[C@H](NC(=O)c1scc(B(O)O)c1Cl)C(F)(F)F)OCc1ccccc1 2266985135 QJUXAZINOSPFCV-NSHDSACASA-N 450.631 1.668 50 10 JDGE C#C[C@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)[C@@H]1CCCO1 1234625156 CORHHIKSCMIZHK-PMACEKPBSA-N 456.524 1.290 50 10 JDGE CN1C[C@H](Br)[C@@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000546236 YTRYYHCVZXLPIF-ZQIUZPCESA-N 462.341 1.008 50 10 JDGE COCC1(CNS(=O)(=O)N2CCC(Br)CC2)CN(C(=O)OC(C)(C)C)C1 2121536880 WQCIHSLCBRSHAQ-UHFFFAOYSA-N 456.403 1.564 50 10 JDGE Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2Br)ccc1I 2142116446 JLHYMLALFGKFIW-KOLCDFICSA-N 458.115 1.890 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240336030 GBNGAVKDNAFXAL-BIXPNRAVSA-N 462.175 1.653 50 10 JDGE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CCCCI 2243589339 NQSDRNKQQXZGRQ-UHFFFAOYSA-N 458.362 1.922 50 10 JDGE Cc1cc(B(O)O)ccc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2255888917 XVSSFDCFHHRZPS-UHFFFAOYSA-N 452.385 1.998 50 10 JDGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3cc(Br)c[nH]3)CC2)cc1 743357718 DMIBIDFCYMSLHB-UHFFFAOYSA-N 465.352 1.552 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106775325 WHVFNLYMOHPLFK-INIZCTEOSA-N 456.403 1.442 50 10 JDGE CN(C)C[C@@H]1C[C@@H](Br)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2122389560 FCIOMEVEWGCLKK-TYILLQQXSA-N 490.395 1.740 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNS(=O)(=O)N2CCC(Br)CC2)C1 2230118378 PAWNYGZZRQCLPG-INIZCTEOSA-N 456.403 1.442 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(Cl)c(B(O)O)c1)OCc1ccccc1 2255883432 HITPTFRQMJURNE-UHFFFAOYSA-N 484.767 1.667 50 10 JDGE COc1cc(/C=N/Nc2nc(SCC(=O)NNC(=O)C(C)(C)C)n[nH]2)cc(OC)c1OC 20909989 FQVLGMKTPKMZLI-AWQFTUOYSA-N 465.536 1.562 50 10 JDGE COc1ccc(Br)cc1/C=N/Nc1nc(S[C@H](C)C(=O)NNC(C)=O)n[nH]1 59880776 PTGJKENZVBHVAV-RAKXPMKDSA-N 456.326 1.670 50 10 JDGE N#C/C(=C/c1c(Oc2ccccc2F)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 102846310 BSFQJKYETXNHQK-SZGZABIGSA-N 468.466 1.836 50 10 JDGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)NCCc3c[nH]c4cc(F)ccc34)nc2)CC1 747985695 ABOSPTWHAJXKAQ-UHFFFAOYSA-N 475.550 1.507 50 10 JDGE C=C(C)C[C@@H](NC(C)=O)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1587357669 YJUBUIIEWZDCLO-MRXNPFEDSA-N 450.542 1.781 50 10 JDGE C=C[C@](C)(CC)C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1641100744 AFYMCEJOTMDKBF-IIBYNOLFSA-N 453.561 1.702 50 10 JDGE CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H](CCBr)C1 2082729487 CWNUNOPALKRDGS-HNNXBMFYSA-N 472.405 1.794 50 10 JDGE Cc1cc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)ccc1B(O)O 2268712413 RSCCWNVWOVRAJH-XMMPIXPASA-N 453.348 1.783 50 10 JDGE Cc1cc(C(=O)NC2(CNC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)oc1B(O)O 2282327529 JPZXGNFVFBXLDN-UHFFFAOYSA-N 471.363 1.557 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2284055456 UBECEFCXYNXRPA-UHFFFAOYSA-N 487.431 1.946 50 10 JDGE O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1nn(-c2ccccc2)cc1O 13082365 FXZSFBWYNTVWAV-UHFFFAOYSA-N 469.523 1.440 50 10 JDGE COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13630289 SLSTVUWVHLLCNK-NSHDSACASA-N 495.355 1.735 50 10 JDGE CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@H]2OCC(=O)NNC(=O)/C=C/c2ccccc2)O1 504051095 RHUOIDQSBWTIEJ-JKYSSXLGSA-N 462.499 1.260 50 10 JDGE COc1cc2c(cc1OC)[C@H](CC(=O)NNC(=O)Cc1cccc(O)c1)N(S(C)(=O)=O)CC2 725880900 NHIOACFHTMDPTJ-SFHVURJKSA-N 477.539 1.048 50 10 JDGE C#CC[C@@]1(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1624039167 VKCHNVIAFFROPO-QHCPKHFHSA-N 453.499 1.488 50 10 JDGE N#CSc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1866627687 QSHMPTRSKWZUQX-LJQANCHMSA-N 474.564 1.919 50 10 JDGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@@H]3OC(C)(C)O[C@@H]23)N(C)C1 575232580 OCZLAKAMOSUOEB-VNDWIAOLSA-N 451.029 1.798 50 10 JDGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 1772747557 QMNMYRXMDBRWHT-UHFFFAOYSA-N 468.514 1.788 50 10 JDGE O=S(=O)(C[C@@H](Br)c1cc(I)sn1)N1CCOCC1 2056487899 POUJCZOOOCVJGI-SSDOTTSWSA-N 467.148 1.846 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B(O)O)cs1 2256626564 LKAFNTREMBDNOB-HNAYVOBHSA-N 462.377 1.885 50 10 JDGE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)oc1B(O)O 2281898375 IXDYZVPDTNIOKZ-UHFFFAOYSA-N 481.355 1.198 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cc(B(O)O)ccc2Cl)C1 2287640209 YMAHNOUHWHZSQU-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE C=CCN1C(=NC=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@H]21 2296564564 OFLMKAIZSDCAEC-YLJYHZDGSA-N 490.607 1.526 50 10 JDGE CCCn1c(N)c(C(=O)COC(=O)/C(C#N)=C\c2cc(C)n(CC(C)C)c2C)c(=O)n(C)c1=O 96508128 FGDBEEMWIWBXHE-ZDLGFXPLSA-N 469.542 1.947 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 1297230912 BTLSAQIOEPAVRE-ZDUSSCGKSA-N 453.904 1.436 50 10 JDGE CC1(C)S[C@H]2[C@H](NC(=O)/C(C#N)=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)O 1866131052 WJXCHGRXCXMTIE-XXAQIKKUSA-N 450.314 1.988 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(Cl)ccc2B(O)O)C1 2281711885 QEDDFTBTDSONPA-LJQANCHMSA-N 487.793 1.871 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCc1sc(Cl)cc1B(O)O 2303772022 DAKOXULEOSILJF-HNNXBMFYSA-N 468.768 1.808 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)NCCS(=O)(=O)CCCl 2338833256 KFCIUCLSHLYVKT-UHFFFAOYSA-N 464.993 1.416 50 10 JDGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccccc2[N+](=O)[O-])nnn1-c1nonc1N 254313588 VUJAEVBKFLXCOK-LBPRGKRZSA-N 454.451 1.279 50 10 JDGE COc1ccc(-c2n[nH]cc2C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1OC 254873380 CQUVVYBMBLKQAO-UHFFFAOYSA-N 451.439 1.703 50 10 JDGE C=C[C@@H]1OCCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1686531479 HJYBEQHNLKIZRO-UXHICEINSA-N 458.540 1.843 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1873777687 OZGCFIBZBOVCMO-CQSZACIVSA-N 466.454 1.358 50 10 JDGE CN(C[C@H]1C[C@H](Br)C1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249451725 NBRPTNYSCGCHEH-RBSFLKMASA-N 463.350 1.801 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256671333 RHURSLGJIBNDKW-QGZVFWFLSA-N 462.377 1.853 50 10 JDGE COC[C@]1(CBr)C=CCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2306859265 NYCNWJNEYZQGFS-GOSISDBHSA-N 457.346 1.654 50 10 JDGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(OC)cc2OC)nnn1-c1nonc1N 20037883 AJDKNBGAFGXNIB-FSJBWODESA-N 471.522 1.636 50 10 JDGE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NNC(=O)c1ccccc1 253565132 HISWDDQGQPLGGB-DJKKODMXSA-N 485.442 1.620 50 10 JDGE C#CCNS(=O)(=O)c1ccc(C(=O)NNc2ccccc2I)cc1 1303160450 XUCNXPONGHLSCG-UHFFFAOYSA-N 455.277 1.960 50 10 JDGE C=CCn1c(S)nc2cc(C(=O)NNc3ccccc3S(=O)(=O)N(C)C)ccc2c1=O 1638282457 FMWMWSUSJQJMFQ-UHFFFAOYSA-N 459.553 1.878 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2CC[C@@H](CBr)O[C@@H]2C1 2251275833 MSOGEEQFPVHGDR-HEHGZKQESA-N 457.346 1.487 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)N(C)C[C@H]1C[C@@H](Br)C1)NC(=O)OCc1ccccc1 2258179606 OSGVTYYLPHLNIC-XHSDSOJGSA-N 477.377 1.890 50 10 JDGE Cc1cc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)sc1B(O)O 2267334178 DLYJBCWKJIQPCS-UHFFFAOYSA-N 485.412 1.664 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N1C[C@H](C)N(C(=O)OCc2ccccc2)[C@H](C)C1 2282362839 KAVUHHWKHYALPA-OKILXGFUSA-N 452.363 1.156 50 10 JDGE NNC(=O)[C@@H]1C[C@@H]1CCCn1cnc(I)c1I 2300383223 LBZMVGCIOAGTSA-NKWVEPMBSA-N 460.057 1.499 50 10 JDGE COc1cc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc(Br)c1OC 2323161020 YQVLUTAESJLJON-ZETCQYMHSA-N 458.294 1.693 50 10 JDGE O=C(NNS(=O)(=O)c1cc(F)cc(F)c1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 14235543 LZQJQZWJJNVNLE-UHFFFAOYSA-N 497.501 1.772 50 10 JDGE COc1cc(/C=N/Nc2nnc(SCC(=O)NNC(=O)C(C)(C)C)[nH]2)cc([N+](=O)[O-])c1O 20836336 YBVDTGILEPFQAA-CNHKJKLMSA-N 466.480 1.159 50 10 JDGE O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1nonc1C(=O)NN=Cc1cccc([N+](=O)[O-])c1 1084356945 NEUOASPDUMMLII-UHFFFAOYSA-N 452.343 1.414 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C2(CNS(=O)(=O)CI)CCC2)CC1 2018702586 FXFPHYLSNJXPQK-UHFFFAOYSA-N 473.377 1.774 50 10 JDGE C=C[C@]1(CBr)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2135136409 WQKVPVTWQIWING-MOPGFXCFSA-N 489.363 1.993 50 10 JDGE Cn1cc(C(=O)NNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c2ccccc21 10736742 AODLZVTWUTXODE-UHFFFAOYSA-N 465.535 1.800 50 10 JDGE C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NN3CCOCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 253624519 FBQSKFBDDWKIAP-BOVSGHFHSA-N 468.547 1.881 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCOC[C@H]1Br 2000532337 IVKSXIPWTNZQLS-CPUCHLNUSA-N 463.325 1.483 50 10 JDGE COC[C@@H](Br)CCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000539430 ALJQXJVOYBMYDB-YVEFUNNKSA-N 465.341 1.730 50 10 JDGE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106777714 WGFJRBWLNXPIDI-AWEZNQCLSA-N 456.403 1.658 50 10 JDGE O=S(=O)(Cc1ccccc1B(O)O)NCCCN(Cc1ccccc1)Cc1ccccc1 2255941052 GKGMCKRIHWUSKG-UHFFFAOYSA-N 452.385 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(F)cc2B(O)O)C1 2282170125 RRFRNWGWVDLVEU-IBGZPJMESA-N 471.338 1.357 50 10 JDGE CCOc1ccc(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1OC 169891712 CHZZIIDSSMEUET-SLCIXIPPSA-N 455.496 1.849 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1OC 254487413 IPROIZYAEMPJDY-UHFFFAOYSA-N 483.533 1.778 50 10 JDGE COc1cccc(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1O 1083927750 LWTLIRJKWKGIOZ-UHFFFAOYSA-N 488.442 1.432 50 10 JDGE C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2ccc(Br)cc2)c1 1448290691 KIJBRAFTOGHEGD-UHFFFAOYSA-N 451.302 1.827 50 10 JDGE CC(C)C[C@H](C(=O)N1CCC(C(=O)NNC(=O)c2cccnc2)CC1)N1C(=O)c2ccccc2C1=O 1858002102 HGBHBQRZRVJKKP-OAQYLSRUSA-N 491.548 1.792 50 10 JDGE C[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H](CCBr)O1 2009333690 LYETXOXINNLRLF-UONOGXRCSA-N 459.362 1.877 50 10 JDGE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)N2CCC(Br)CC2)CCOCC1 2106296782 BUWOOJLJHMVRKW-UHFFFAOYSA-N 456.403 1.754 50 10 JDGE O=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(B(O)O)c2)C1)OCc1ccccc1 2296004175 VJEHZGVOXJVWLH-OAHLLOKOSA-N 452.725 1.099 50 10 JDGE N#CCOc1cccc(/C=N/NC(=O)c2nonc2C(=O)N/N=C/c2cccc(OCC#N)c2)c1 59465441 DNBGGHSLXNGUBX-BKHCZYBLSA-N 472.421 1.402 50 10 JDGE CCOc1cc(/C=N/NC(=O)CCNc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1 169892649 YJPMUHDEPHOFPL-ZMOGYAJESA-N 452.471 1.388 50 10 JDGE CCCN1C(=O)C(=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 254414609 IZVLFHOAMBSVOY-UHFFFAOYSA-N 454.483 1.719 50 10 JDGE CCN(CC)C(=O)CNS(=O)(=O)c1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 254872425 NHDWJEYPPLLWCB-UHFFFAOYSA-N 461.500 1.505 50 10 JDGE COc1c(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc([N+](=O)[O-])c1O 263631601 DDBZCJYNKIGXMH-UHFFFAOYSA-N 465.386 1.286 50 10 JDGE CCOC(=O)COc1ccc(C=NNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC 1083875090 HUSCVRIHLRKGDZ-UHFFFAOYSA-N 493.480 1.769 50 10 JDGE C/C(=C/c1ccccn1)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1524056115 HXCZNTULZCNVKR-MSUUIHNZSA-N 458.540 1.286 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2268655301 KEIJJAZKXGJZHL-YZVOILCLSA-N 477.392 1.841 50 10 JDGE O=C(OCc1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(B(O)O)c2)C1 2282366032 IDMVIZNIABBSKT-OAHLLOKOSA-N 452.725 1.099 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(NCCOCCO)nc12 2296711374 SIXUTNGAIPGZJU-UHFFFAOYSA-N 461.522 1.690 50 10 JDGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(=O)OCC)cc2)cc1 9822165 RYJJMPCEHKSXCL-UHFFFAOYSA-N 489.550 1.993 50 10 JDGE COc1ccc(C=CC(=O)NNC(=O)COc2ccccc2C)cc1S(=O)(=O)N1CCOCC1 2042442858 NCUUZWARDDMDKI-UHFFFAOYSA-N 489.550 1.264 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H]2OCCN(S(=O)(=O)N3CCC(Br)CC3)[C@@H]2C1 2106782082 NSNDFXRXRUTVST-ZIAGYGMSSA-N 454.387 1.411 50 10 JDGE COc1cc(B(O)O)ccc1C(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2247751925 FMUFJEOSPFSUNB-UHFFFAOYSA-N 460.295 1.644 50 10 JDGE C[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268633871 VGWUAZOGVPLZCV-LAUBAEHRSA-N 455.364 1.569 50 10 JDGE CC(=O)NNC(=O)CSc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253578427 YHYNNCLHZUNCRM-KEBDBYFISA-N 456.536 1.070 50 10 JDGE N=c1nc(O)n([C@@H]2O[C@H](CI)[C@@H](O)C2(F)F)cc1/C=C\Br 725422588 XAFJOKKJTFEKRV-RHZUMSOUSA-N 478.031 1.762 50 10 JDGE COc1ccc(CCNC(=O)CC(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)cc1OC 1084117463 NEMHUEIFBZGBAI-UHFFFAOYSA-N 484.553 1.806 50 10 JDGE C=C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1635344261 NDFUBPSECPPFJH-MOPGFXCFSA-N 460.512 1.784 50 10 JDGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ncc(B(O)O)cc1Cl 2267069172 OXFZDQOFSZPVAB-UHFFFAOYSA-N 465.746 1.616 50 10 JDGE CCCN(CCC)Cc1c(C(=O)N/N=C/c2ccc(OC)c(OC)c2)nnn1-c1nonc1N 20037887 ZFNNCVDMIYTCFD-FSJBWODESA-N 471.522 1.636 50 10 JDGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)c3ccncc3)c3c(c(OC)c2OC)OCO3)C1 254523129 VINAHFYMEOOIJH-AWEZNQCLSA-N 484.465 1.842 50 10 JDGE COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)CCl)CC2)cc1OC 23451359 RTXCHMOSRCDOHK-UHFFFAOYSA-N 466.951 1.847 50 10 JDGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNS(=O)(=O)c1ccccc1Cl 1860770844 ZGMVSDNZDYPWJV-UHFFFAOYSA-N 452.945 2.000 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(Br)CC2)[C@H](CO)CC1 2162599497 FIZXYRLGXOQCCR-ZFWWWQNUSA-N 470.430 1.688 50 10 JDGE C[C@H]1CN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)C[C@@H](C)N1C(=O)OCc1ccccc1 2195882978 GKOXVQCWQVESNR-CYGHRXIMSA-N 457.980 1.238 50 10 JDGE CN(Cc1csc(B(O)O)c1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256679759 ZENKXONWEFDWQY-GOSISDBHSA-N 462.377 1.887 50 10 JDGE Cc1cc(B(O)O)cc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2266947863 SNLYNQARYCSLRG-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)C(C#N)=C(N)O1 3653525 NCGMEKLRNFGWTP-LJQANCHMSA-N 483.437 1.646 50 10 JDGE COc1cc(C=NNC(=O)c2nonc2C(=O)NN=Cc2ccc(O)c(OC)c2)ccc1O 1084600639 QFZGUQKVRYMJPB-UHFFFAOYSA-N 454.399 1.026 50 10 JDGE C[C@@H](C(=O)NNC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3)N1C(=O)c2ccccc2C1=O 1860771788 IALQIZURHXANGJ-STQMWFEESA-N 493.545 1.730 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2Cc3ccc(B(O)O)cc3C2)CCN(Cc2ccccc2)C1 2284058084 HYZXRFALOJZDGE-VWLOTQADSA-N 465.359 1.378 50 10 JDGE Cc1ccc(S(=O)(=O)NNc2ncnc(NNC(=O)c3ccccc3F)c2[N+](=O)[O-])cc1 40658199 AZXJZDSTHQQCHT-UHFFFAOYSA-N 461.435 1.895 50 10 JDGE O=C(NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-])c1ccco1 40659177 MJKZCFWHGHSMOI-UHFFFAOYSA-N 467.442 1.786 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)c1 1154050636 SDAKRSUXEATMJV-UHFFFAOYSA-N 451.570 1.522 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCOC[C@@H]1Br 1942090944 ZXFYWVRJEADWNJ-JKSUJKDBSA-N 459.362 1.925 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)OCC12CC2 2185684016 NWGABEXGQAROQS-CQSZACIVSA-N 468.414 1.849 50 10 JDGE C[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256622884 MVRRDJIFJHDVNX-HNAYVOBHSA-N 461.393 1.630 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 10736373 PUCRPLIGNFWJPP-UHFFFAOYSA-N 457.512 1.266 50 10 JDGE C[C@H](Br)C[C@@H]1COCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2013002667 SZBXBQPIYFEOTF-UONOGXRCSA-N 459.362 1.877 50 10 JDGE Cc1ccc(B(O)O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c1 2266951370 SSOZTFTWZOKPKR-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccc(B(O)O)cc2C1 2268656600 YTZXWOPAABXOIJ-HRAATJIYSA-N 454.332 1.707 50 10 JDGE Cn1c(O)nc(=O)c2[nH]c(CCC(=O)NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc21 254520006 QZBJBHMMNJMBLO-UHFFFAOYSA-N 451.399 1.613 50 10 JDGE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 1293354497 ZNOUNIDLQBJLSW-IBGZPJMESA-N 459.547 1.690 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2080886313 IGDJQDQYPHPTHX-QLFBSQMISA-N 495.664 1.740 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@H](CCl)O[C@@H]2C1 2279913477 NGCOWZZICODUCZ-RRQGHBQHSA-N 456.948 1.346 50 10 JDGE N#C/C(=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 32307869 SWEGBEXZQDSAIZ-JXAWBTAJSA-N 463.519 1.735 50 10 JDGE CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccc(CCCl)cc2)CC1 727835859 MOHOCJNVSBPQSS-UHFFFAOYSA-N 458.005 1.887 50 10 JDGE CC(=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccccn1 1083983381 BBDXKLBVKDDBAV-UHFFFAOYSA-N 457.432 1.503 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 2313743401 AJYLCZLBPROUDA-UHFFFAOYSA-N 487.534 1.995 50 10 JDGE CC1(C)O[C@@H]2[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O[C@@H](NC(=O)N(CCCl)N=O)[C@@H]2O1 17064517 YASNUXZKZNVXIS-KBUPBQIOSA-N 472.838 1.928 50 10 JDGE in-man O=C(CCC(=O)NNC(=O)c1ccc(Br)o1)NNC(=O)c1ccc(Br)o1 100051347 BMKKWJCFJHBUDR-UHFFFAOYSA-N 492.080 1.400 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1O 254295005 SUDFCINSRUGIHB-UHFFFAOYSA-N 463.458 1.347 50 10 JDGE COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN=Cc2ccccn2)c(OC)c1 1565518932 RQDWXEGFZHLKIY-HXUWFJFHSA-N 453.455 1.420 50 10 JDGE Cn1cc(B(O)O)cc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2247874528 RGFLRSOVAUSAJK-UHFFFAOYSA-N 463.299 1.295 50 10 JDGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)CCC(=O)NCc2ccccc2)cc1OC 33627870 PVKUGUWTLJENHR-LUAWRHEFSA-N 470.551 1.836 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1CCCN(CCBr)C1 704004629 AAKKXEUWUGRPCK-CQSZACIVSA-N 458.378 1.451 50 10 JDGE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cnn[nH]2)c1 729455416 CIKVBRCDYNZJPK-UHFFFAOYSA-N 460.903 1.914 50 10 JDGE COC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H](Br)[C@@H](OC)N1C(=O)OC(C)(C)C 1531865225 CRKMKFBLFUROCW-VWPFQQQWSA-N 479.368 1.912 50 10 JDGE C/C(=C/CO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@](C)(CO)CCC[C@]12C 1615257436 IQHRODLFQNPIDT-KVNNABDSSA-N 468.587 1.234 50 10 JDGE Cc1nnnn1C(=Cc1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 2042442087 VQSDGWFOVGKPJG-UHFFFAOYSA-N 485.298 1.747 50 10 JDGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@H]2OCC[C@H]21 2162594898 SFGWSIVCZMUATF-RRFJBIMHSA-N 468.414 1.847 50 10 JDGE CN(C[C@H]1C[C@@H](Br)C1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249456663 NBRPTNYSCGCHEH-QLFBSQMISA-N 463.350 1.801 50 10 JDGE Cc1ccc(B(O)O)cc1NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268631976 FHKPHYJMUDJUNC-XMMPIXPASA-N 453.348 1.783 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCc1cc(B(O)O)ccc1F 2268718801 UPLDZJSVDAURHI-LJQANCHMSA-N 460.311 1.622 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccccc2OCC(=O)O)nnn1-c1nonc1N)C1CCCCC1 254400556 LYFNGHKVEAXNBL-UHFFFAOYSA-N 497.516 1.224 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc(OC)c1OC(C)=O 254702665 BNODYHYFRQSWAO-UHFFFAOYSA-N 498.481 1.667 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNc3nccn(C)c3=O)cc2)cc1 1641352681 HAQDILHRXWGKCE-UHFFFAOYSA-N 455.496 1.218 50 10 JDGE Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Br)ccc1I 2142116445 JLHYMLALFGKFIW-GXSJLCMTSA-N 458.115 1.890 50 10 JDGE C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1nscc1B(O)O 2243918014 ZYTOFWUIYMKMLF-AWEZNQCLSA-N 465.340 1.929 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCc2ccc(B(O)O)s2)C1 2268717328 KKAAQCCEWSXVHO-HSZRJFAPSA-N 474.388 1.888 50 10 JDGE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1447347317 KKYKPVOOUOZQEY-IBGZPJMESA-N 459.547 1.596 50 10 JDGE C=CC1(CC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)CN(C(=O)OC(C)(C)C)C1 1586946130 FGBFTIBZSVJJNM-UHFFFAOYSA-N 455.515 1.991 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNS(=O)(=O)c3ccc(Br)cc3)cnc2s1 1860770391 GUYLYIOTNBOSSI-UHFFFAOYSA-N 471.358 1.793 50 10 JDGE COCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(Br)CC1 2106766129 LDAULJBLKAMQOE-UHFFFAOYSA-N 456.403 1.658 50 10 JDGE O=C(Cc1ccccc1I)N[C@H]1CS(=O)(=O)C[C@H]1Br 2121331436 YBUVZZDIFZYIEM-KOLCDFICSA-N 458.115 1.510 50 10 JDGE CO[C@@H]1[C@H](OC)CN(C(=O)c2cc(I)sn2)[C@H]1CBr 2225084034 RFDVDXALJBVSEN-XKSSXDPKSA-N 461.119 1.997 50 10 JDGE COc1ccccc1C=CC(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 2314109216 NRRRZCISUZNHPD-SFHVURJKSA-N 452.536 1.779 50 10 JDGE CC(=O)N(C(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N)cc1 2324187063 KCQYXPZIVAPYCF-UHFFFAOYSA-N 453.524 1.562 50 10 JDGE COc1cc(C=NNC(N)=O)cc(I)c1OCC(=O)NCc1ccccc1 254735889 BVWQNCWQHDOIFW-UHFFFAOYSA-N 482.278 1.997 50 10 JDGE CO[C@@]1(CBr)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942099128 RNDJLOMYBZKLKV-GOSISDBHSA-N 459.362 1.878 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 2179867809 AVMNYVSPBXEHJA-SJORKVTESA-N 455.378 1.969 50 10 JDGE Cc1csc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2256623292 QJCNIVYMMROVRK-KRWDZBQOSA-N 461.393 1.378 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc21 2268633728 DSWSMHLDGGHOKN-IERDGZPVSA-N 454.332 1.754 50 10 JDGE Cn1ncc(-n2cc(COCCOCCBr)nn2)c1I 2280134783 QZFLIBBTLFAGAU-UHFFFAOYSA-N 456.082 1.534 50 10 JDGE O=C(Cn1nnc(-c2ccccc2)n1)NNC(=S)NC1CCN(Cc2ccccc2)CC1 920306986 GZGRSTRMNHUUTL-UHFFFAOYSA-N 450.572 1.500 50 10 JDGE C=C[C@@](C)(CCOC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1463715873 KGWVBKYAJZFNKM-NRFANRHFSA-N 453.561 1.016 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1OC 252668196 DXLHDILGGZRHFL-NRFANRHFSA-N 489.553 1.918 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)c(OC)c1 254790674 HQXHQCAHHUVFNC-UHFFFAOYSA-N 478.425 1.409 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NN=c3cc[nH]c4ccccc34)c2)CC1 1559019238 HMCAPHHVUFKMQB-UHFFFAOYSA-N 453.524 1.266 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cc(F)cc(F)c3F)cc2)CC1 1628227504 DCPBHFUXDVIISA-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](O)(CNS(=O)(=O)CI)C2 1988050606 DXIXNGDAQJNKAA-GNXNZQSNSA-N 460.334 1.591 50 10 JDGE Cc1nc(I)c(I)n1C[C@@H]1CC[C@@H](C(=O)NN)C1 2061289783 XASKTHWNZDIEIS-HTQZYQBOSA-N 474.084 1.807 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)N2CC(Cl)C2)C1 2242913794 PANHQUAEGUDJAV-GOSISDBHSA-N 459.012 1.865 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccccc2B(O)O)C1 2266974357 QHPPFUCJDKWJQS-LJQANCHMSA-N 453.348 1.218 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(Cl)cc1B(O)O 2282303528 YAGLPOIIFKLZIY-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c(OC)c1 730495388 NANRRTVBNBFIIJ-QGZVFWFLSA-N 461.540 1.707 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC[C@H]1CO 2122367192 FCWHFUPMRRUWQQ-GXTWGEPZSA-N 456.403 1.298 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)NCCN(OCc1ccccc1)C(=O)OC(C)(C)C 2247882948 XEJUOBXLKLKEFE-UHFFFAOYSA-N 470.378 1.384 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2c(cccc2B(O)O)C1 2268702738 XUOHTRPCKIKZOU-OAQYLSRUSA-N 454.332 1.361 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccco3)c(N3CCC(C(N)=O)CC3)nc12 2296849795 VGNRQGSUVJYKSW-UHFFFAOYSA-N 460.494 1.521 50 10 JDGE COCCOc1ccc(Br)cc1C(=O)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13629939 BQMBEQZPJRLJIO-CYBMUJFWSA-N 480.315 1.877 50 10 JDGE O=C(CNC(=O)c1ccncc1)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 100431764 TZQMIWVRZARFJW-XAYXJRQQSA-N 457.446 1.607 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCc2cc(B(O)O)ccc21 2283964107 RCGIECMPHIAFIB-IBGZPJMESA-N 468.315 1.282 50 10 JDGE COC(=O)C1CCN(c2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])CC1 40659254 VPRDAXXYTLONAU-UHFFFAOYSA-N 459.419 1.368 50 10 JDGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1N 40785128 BQAMUGRKRITKFJ-UHFFFAOYSA-N 477.525 1.875 50 10 JDGE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1544598310 SPTSGJYEHOAPDQ-INIZCTEOSA-N 456.524 1.666 50 10 JDGE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)sc1B(O)O 2267335752 QQDJIYWMFQZICS-GOSISDBHSA-N 473.404 1.588 50 10 JDGE COc1ccc(N2CCN(c3ncnc(NNC(=O)c4ccncc4)c3[N+](=O)[O-])CC2)cc1 40611235 VPBADKKIGFQXRL-UHFFFAOYSA-N 450.459 1.872 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)c1OC(C)=O 254346297 FHCOPNNKXIXEHT-ZDUSSCGKSA-N 497.516 1.305 50 10 JDGE COc1ccc(N2NOC(=O)/C2=C(/O)C2=[S+]C3=NC(=N)C(C#N)=C(c4ccco4)C3=C2N)cc1 585673728 HLCJYBKOKQTEGW-UHFFFAOYSA-O 475.466 1.689 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)c1 1558201580 AYHPQOXZUWZETO-QGZVFWFLSA-N 459.572 1.749 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)OCC(F)(F)F)CC2)cc1 1647826403 WGBYHHKOORUKEX-UHFFFAOYSA-N 451.423 1.610 50 10 JDGE CC(C)(C)OC(=O)NC[C@]1(Oc2nccc(B(O)O)c2F)CCCN(Cc2ccccc2)C1 2231659846 WXGGGYUUICIURU-HSZRJFAPSA-N 459.327 1.839 50 10 JDGE C[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cscc1B(O)O 2256622885 MVRRDJIFJHDVNX-KXBFYZLASA-N 461.393 1.630 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CN=c2cc(B(O)O)c(Cl)c[nH]2)C1 2263279215 DQLHLWLISOPCFI-QGZVFWFLSA-N 460.771 1.370 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(F)ccc2B(O)O)C1 2282243427 ZXOCCVZHBURFOV-LJQANCHMSA-N 471.338 1.357 50 10 JDGE C[C@@H](NC(=O)[C@@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B(O)O 2283985445 IYPOEGBWBGYSAJ-MWTRTKDXSA-N 489.403 1.844 50 10 JDGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623592 WSQDPHFBMPBJJT-IBGZPJMESA-N 484.578 1.786 50 10 JDGE COc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 13978836 GJYRBKBEXQCPCZ-UHFFFAOYSA-N 468.329 1.937 50 10 JDGE N#CC1=C([N+](=O)[O-])n2c(s/c(=C/c3ccccc3[N+](=O)[O-])c2=O)=C(C#N)[C@H]1c1ccccc1N 166191734 RURCECCWXUYKLL-XSORJCKLSA-N 472.442 1.670 50 10 JDGE C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)NC(C)(C)C(=O)NNC(=O)OC(C)(C)C 213097208 SNLDOLGYCJWVFX-LSDHHAIUSA-N 493.561 1.257 50 10 JDGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 751280247 DCPHJGUXQNBUBH-LJQANCHMSA-N 476.580 1.787 50 10 JDGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1457501630 BBVRETCPMOIHCK-WJPUGNRLSA-N 481.571 1.081 50 10 JDGE CCn1cc(B(O)O)c(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)n1 2255575810 VUUCNQUAZWNRSQ-UHFFFAOYSA-N 478.314 1.173 50 10 JDGE COC(=O)c1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 13623615 FDGORJGSASJPSN-QGZVFWFLSA-N 454.508 1.157 50 10 JDGE CCOC(=O)C1=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 33930773 MJVDVUXZTWTADF-NNVROAHOSA-N 489.553 1.918 50 10 JDGE COCCN(CCOC)c1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N 40752024 QYAGCBKKKHMQKT-UHFFFAOYSA-N 459.334 1.987 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCC(=O)O)cc2)c1-c1cccs1 254571206 UEJBPFNFBKPHDC-UHFFFAOYSA-N 454.428 1.188 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCN2CCOC[C@@H]2C)cc1 729385492 HMDCFBQCGYQQCS-AMRJIULGSA-N 466.542 1.178 50 10 JDGE CC(=NNC(=O)c1ccc(CN(C)C)o1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816728 RBQTVTUCOWLBFC-UHFFFAOYSA-N 456.546 1.221 50 10 JDGE CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)o1 1083972470 JKPWQUOJDSAWEM-YBEGLDIGSA-N 456.480 1.907 50 10 JDGE CC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c2ccccc21 1312304891 NIFOEAZFHFXVGJ-MRXNPFEDSA-N 458.544 1.730 50 10 JDGE O=C(CN1CCC(CNC(=O)OCc2ccccc2)CC1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2195882946 GAPNQTKLFKBUAF-ROUUACIJSA-N 457.980 1.145 50 10 JDGE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)sc1B(O)O 2256625057 RDQXLTSQQXHKAS-MAUKXSAKSA-N 462.377 1.851 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cccc(B(O)O)c2F)CCN(Cc2ccccc2)C1 2268632711 MXMQCHKYCWQKPK-HSZRJFAPSA-N 457.311 1.613 50 10 JDGE C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2268639283 NGMUHVBVSZSLHH-CJNGLKHVSA-N 477.348 1.027 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284058834 BSEMAGXUKYPOOA-MWTRTKDXSA-N 488.419 1.512 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCCc3ccccc3)c(N3CCC(C(N)=O)CC3)nc12 2297470302 NMIGNNABYHLPRW-UHFFFAOYSA-N 484.560 1.971 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)cc1 14027535 ZTPPXAVPRQFOKP-UHFFFAOYSA-N 470.301 1.933 50 10 JDGE COc1ccc(Br)cc1/C=N/Nc1nc(S[C@@H](C)C(=O)NNC(C)=O)n[nH]1 59880773 PTGJKENZVBHVAV-TXQWPAICSA-N 456.326 1.670 50 10 JDGE CN(C)c1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961594 MEKHACPIXUOMQV-QZTJIDSGSA-N 450.543 1.882 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)s1 2268601931 DPZZMIOFXNMMNQ-UHFFFAOYSA-N 475.420 1.722 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268607278 CZXSZTLRAOKBLR-SFHVURJKSA-N 458.320 1.814 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc2C1 2283957389 PHWVNJAYOCHGDM-HTAPYJJXSA-N 468.359 1.750 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(Cl)c(B(O)O)n2)CCN(Cc2ccccc2)CC1 2284068947 KJBZBMZDIRKNBX-UHFFFAOYSA-N 488.781 1.913 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCc3c(B(O)O)cccc32)C1 2284136333 ANHHAJPJYITHMD-UHFFFAOYSA-N 466.343 1.709 50 10 JDGE CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C/Nc1ccc(N2CCOCC2)cc1 102676178 HRURIZXHNRNVLB-OQKWZONESA-N 451.527 1.360 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CI)C[C@@]12CCCOC2 1983330990 UMIIQUQEXJEOCJ-BXUZGUMPSA-N 460.334 1.857 50 10 JDGE CO[C@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2000967911 QNJCUVXVMIPCJV-KGLIPLIRSA-N 459.362 1.877 50 10 JDGE CN(C)C[C@@H](Br)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046026299 PYCBJDPZPRMHLB-FZKQIMNGSA-N 478.384 1.598 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106306151 WBHRFEMNEVUZHQ-CRWXNKLISA-N 454.387 1.361 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2Cl)CCN1C(=O)OC(C)(C)C 2266927877 DNBQUCCRJTVORV-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE Cc1ccc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1B(O)O 2267334208 DPQNRDRIFYTOTL-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 14645305 MKWYJGMCRXIXFC-UHFFFAOYSA-N 472.523 1.544 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860769831 JHCGYCLRHBBDAP-CYBMUJFWSA-N 493.545 1.417 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCI 1956234484 RNYRMJLVYFVJPT-HNNXBMFYSA-N 468.288 1.755 50 10 JDGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)N1CCC(Br)CC1)OCc1ccccc1 2044256248 ALPNQARQYBNEDK-IAGOWNOFSA-N 476.393 1.764 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCCc2cccc(B(O)O)c2)C1 2284179766 JBFBIOSRCKLSMR-UHFFFAOYSA-N 468.359 1.479 50 10 JDGE Cc1ccccc1OCC(=O)NNC(=O)C1CCC(C(=O)NNC(=O)COc2ccccc2C)CC1 100103686 VPXOONOTSIUVOY-UHFFFAOYSA-N 496.564 1.862 50 10 JDGE COc1ccc(C(C)=NNc2nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]2)cc1OC 1084286271 JGMGIWYNFQTOMZ-UHFFFAOYSA-N 461.426 1.460 50 10 JDGE CO[C@@H]1C[C@@H](Br)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2000967913 QNJCUVXVMIPCJV-ZIAGYGMSSA-N 459.362 1.877 50 10 JDGE CO[C@]1(CBr)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024189 YNMLFTKHMHYJCU-MSOLQXFVSA-N 477.352 1.826 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NS(=O)(=O)N2CCC(Br)CC2)CC1 2162599495 FIZXYRLGXOQCCR-UKRRQHHQSA-N 470.430 1.688 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1B(O)O 2255755402 OWMXGULLJMELSV-UHFFFAOYSA-N 466.340 1.611 50 10 JDGE Cc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1 2267332064 FAKFAUDSSNTRAS-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268647345 YXNMSANUHISHIE-QAPCUYQASA-N 476.408 1.368 50 10 JDGE CC(=NOCC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 254707228 RVRNMCOFXCQDOM-UHFFFAOYSA-N 458.383 1.069 50 10 JDGE C[C@H](Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)C(=O)NNC(=O)C1CCC1 1084353100 WTXFTRZCXOAQSJ-VIFPVBQESA-N 477.463 1.495 50 10 JDGE CN(C)CCN(CCBr)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1949765593 MGDONCGGCCMQEC-UHFFFAOYSA-N 460.394 1.651 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(OCCBr)C1 2000538471 HLHJACAYGVVFLB-KRWDZBQOSA-N 463.325 1.436 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@H](CCBr)C1 2052686003 CKANHGJUDWLMBT-ACJLOTCBSA-N 477.352 1.826 50 10 JDGE CO[C@H]1C[C@@](CBr)(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2077894179 KGELQOUZAZWCLE-UYHISHBKSA-N 477.352 1.873 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2OC[C@@H](CBr)O[C@@H]2C1 2265133817 GZGNSMSQRPPAOS-XOKHGSTOSA-N 487.372 1.256 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B(O)O)c(Cl)c1 2267348957 NDJZEHDVHYDBBW-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE COCCNC(=O)C(C#N)=C1NC(=NC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 2296532730 QXCDEOCGUJPBQP-UHFFFAOYSA-N 464.478 1.900 50 10 JDGE COc1ccc(C(=O)N/N=c2\sc3ccccc3n2C)cc1S(=O)(=O)N1CCOCC1 12541857 NAADQWJJQNBXJJ-XDOYNYLZSA-N 462.553 1.515 50 10 JDGE COc1ccc(CC(=O)NN[C@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)cc1 20248371 DDQFIKHVXZKQKK-FQEVSTJZSA-N 450.495 1.313 50 10 JDGE N#CC1=C([N+](=O)[O-])n2c(s/c(=C/c3ccccc3[N+](=O)[O-])c2=O)=C(C#N)[C@@H]1c1ccccc1N 166191502 RURCECCWXUYKLL-MMWCCMKASA-N 472.442 1.670 50 10 JDGE COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872963019 YLLLROKTYNCCNW-PMACEKPBSA-N 465.554 1.863 50 10 JDGE CN(C)C[C@H]1C[C@H](Br)CN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2009111785 ICZZQVQQTOMNQI-UONOGXRCSA-N 458.378 1.402 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@H]21 2079095991 DLFQZRKHHFPQOW-KBRIMQKVSA-N 471.373 1.877 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2OCCC[C@@]2(CBr)C1 2222903997 CNPNICVGAWHFCV-VQIMIIECSA-N 471.373 1.878 50 10 JDGE CC(C)(C)OC(=O)NCCOCCOCCNS(=O)(=O)CCC(CCl)CCl 2233849673 FQMZIIBSKFLQOC-UHFFFAOYSA-N 451.413 1.948 50 10 JDGE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)c1ncc(Br)cc1B(O)O 2240343922 ZUOHUURLZLUACD-UHFFFAOYSA-N 456.068 1.807 50 10 JDGE CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2243662678 CPQFXJPUSWELCR-SFHVURJKSA-N 466.328 1.142 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3scnc3C)CC2)c1 729453104 ZOEPQSFXEKZQJG-UHFFFAOYSA-N 450.542 1.516 50 10 JDGE CC(C)C(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084404807 YGQKTNKXIINTAJ-VIFPVBQESA-N 465.452 1.351 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@@H](CCl)[C@H]1OC 2233353428 GWOXAMFFXABAPX-RCCFBDPRSA-N 458.964 1.736 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2OCC[C@]2(CBr)C1 2253351031 NEYISWMAOAMQEC-QAPCUYQASA-N 457.346 1.488 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)[C@H]2C[C@@H](B(O)O)C2)CC1 2255556381 OLJVJVISYZRFEX-IYBDPMFKSA-N 455.361 1.556 50 10 JDGE Cc1sc(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2255586182 MOATXFWYORTURK-UHFFFAOYSA-N 469.369 1.581 50 10 JDGE COc1cc(B(O)O)c(C(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)cc1OC 2267017230 OAIJZBKNGLWJNT-UHFFFAOYSA-N 458.320 1.551 50 10 JDGE COC[C@@H](Br)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544845 QERQBZXCRMTTPP-YVEFUNNKSA-N 465.341 1.682 50 10 JDGE COc1ccc(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2339733931 NLCIKHQBWSXLCD-SFHVURJKSA-N 458.320 1.814 50 10 JDGE Nn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58988024 ZTONPPYJYYWYPX-UFWORHAWSA-N 458.416 1.423 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 255974837 GRDUQQNEXMJRRS-ADHGMGHFSA-N 498.282 1.198 50 10 JDGE C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1nn(Cc3ccccc3)c(=O)c3ccccc13)CS2 904220572 CZRQGOKJESTUQZ-MHECFPHRSA-N 477.546 1.660 50 10 JDGE CN1CCN(S(=O)(=O)c2cccc(C(=O)NCC(=O)Nc3ccc(SC#N)cc3)c2)CC1 1868131496 SGSKSFSQUMAHBX-UHFFFAOYSA-N 473.580 1.564 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240336033 GBNGAVKDNAFXAL-MUDIAHQHSA-N 462.175 1.653 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268718749 UGHHCUBQEISAKS-HSZRJFAPSA-N 473.404 1.522 50 10 JDGE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2282367213 ZCIQIYXKVCGFIO-OAHLLOKOSA-N 452.725 1.051 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)NCc1sc(Cl)cc1B(O)O)Cc1ccccc1 2320679025 RNRGOSDSBYXNGN-UHFFFAOYSA-N 481.811 1.724 50 10 JDGE CP(C)(=O)[C@H]1C[C@H](N=C=O)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2370156678 PDKAVHKCWUQOIP-GJZGRUSLSA-N 453.457 1.404 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 15092956 ZDOJYVPLAUXVRP-UHFFFAOYSA-N 457.512 1.218 50 10 JDGE COCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 40890058 RGWQQDRPCLANNB-LFIBNONCSA-N 463.446 1.566 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN2C[C@H](Br)C[C@@H]2C1 703959476 ZPJKZLXPHIXNJM-HUUCEWRRSA-N 484.416 1.792 50 10 JDGE CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 1669357010 VHJQTAIYGAHSLS-UHFFFAOYSA-N 454.531 1.119 50 10 JDGE C[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268640260 VGWUAZOGVPLZCV-DYESRHJHSA-N 455.364 1.569 50 10 JDGE COC(=O)[C@@H](Br)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316827540 RPQKHPNZURFRMK-HNNXBMFYSA-N 475.361 1.699 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCN2C[C@@H](Br)C[C@@H]2C1 703958203 NCOMCVLWZQZYMH-UONOGXRCSA-N 456.362 1.156 50 10 JDGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860770254 ZVLQEPSTSZEXAU-CYBMUJFWSA-N 470.551 1.990 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1COC[C@H]1CBr 1942677329 WPMFMAHMBXOXBY-CJNGLKHVSA-N 459.362 1.782 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCn2c(CBr)nnc2C1 2115147299 YMAGPYYMPWHZBG-UHFFFAOYSA-N 482.360 1.395 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cccc(B(O)O)c2Cl)C1 2287640849 ZSLAYOHPOSEXLU-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE O=C(O)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2303603279 QZYQBVXCGJFSGW-CQSZACIVSA-N 461.334 1.611 50 10 JDGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 13630300 NDYSSQYNBSIQPX-MRXNPFEDSA-N 474.539 1.379 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2OCC(=O)O)c1-c1cccs1 254289631 BHWIEWGUMFWOIT-UHFFFAOYSA-N 454.428 1.188 50 10 JDGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)CCCN(C)C(=O)OC(C)(C)C)cc2)CC1 728216406 ZSWLWQDNMIDMCX-UHFFFAOYSA-N 469.608 1.713 50 10 JDGE C#CCCCC(=O)NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1645279277 NJVOCCOTZXKDQQ-UHFFFAOYSA-N 456.524 1.688 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](Br)[C@@H](Br)C1 1892578778 KVNLNZAJKMRNAM-STQMWFEESA-N 480.178 1.845 50 10 JDGE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106297713 HKXSWTLXLKYBRF-MGPQQGTHSA-N 456.403 1.751 50 10 JDGE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(Br)CC1 2106777715 WGFJRBWLNXPIDI-CQSZACIVSA-N 456.403 1.658 50 10 JDGE O=S(=O)(NC[C@@]12CN(Cc3ccccc3)C[C@H]1CCO2)N1CCC(Br)CC1 2175203931 WUBUYWRAUNKPRG-IEBWSBKVSA-N 458.422 1.971 50 10 JDGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc([N+](=O)[O-])c1OCC 2323157679 FRZFXFAKYRNXDU-VIFPVBQESA-N 452.449 1.619 50 10 JDGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1 10455782 FWNYAPBQJNHCQM-UHFFFAOYSA-N 466.313 1.950 50 10 JDGE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 20924130 UVXFZVRNVHBMNB-ZVBGSRNCSA-N 460.907 1.350 50 10 JDGE COc1ccc(C(C)=NNC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc1[N+](=O)[O-] 254766453 UOEOGZVKIVSYOP-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 728456783 XWHAIAFLXPCXLF-IBGZPJMESA-N 456.474 1.293 50 10 JDGE CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)CCOc2ccccc2)cc1Br 729349347 DHBWRNYJCAQHAA-UHFFFAOYSA-N 470.345 1.930 50 10 JDGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1 1658403105 JJTSXWRIHMAQEB-CQSZACIVSA-N 453.455 1.908 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)[C@]2(CCCOC2)C1 1983328051 SVHZKXAQUZGXSQ-BXUZGUMPSA-N 460.334 1.857 50 10 JDGE CN1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H](CBr)C1 2046021585 CNOIGBVBWVQBSN-FZKQIMNGSA-N 476.368 1.352 50 10 JDGE O=C(Cn1cnc(I)c1I)NNC(=O)c1ccccc1 2195531173 DGIZDPYREWBQRO-UHFFFAOYSA-N 496.046 1.554 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)CO2)C1 2201727822 KDMBTDOCAYUZKJ-PBHICJAKSA-N 468.414 1.849 50 10 JDGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 13623414 IBCLFWGHMLNOKY-CKDFRHGISA-N 482.562 1.788 50 10 JDGE ICCOCCOCCOCCOCCI 116557062 NXLQQELARJONOU-UHFFFAOYSA-N 458.074 1.923 50 10 JDGE O=C(CCCCSSCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O 575336287 GZJJXPQGNPWRMA-UHFFFAOYSA-N 460.530 1.923 50 10 JDGE O=C(CN1CCC(CNC(=O)OCc2ccccc2)CC1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2195882945 GAPNQTKLFKBUAF-QZTJIDSGSA-N 457.980 1.145 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](NS(=O)(=O)CI)CO2)C1 2210517878 ZDBCOEPFLJMIIT-BXUZGUMPSA-N 460.334 1.857 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2243432772 DHNSOWAVTMYKSQ-UHFFFAOYSA-N 454.379 1.452 50 10 JDGE CN([C@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2282372921 FWFPINRHAISPSR-SJORKVTESA-N 452.725 1.098 50 10 JDGE CN1C[C@H](Br)[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316819530 ZRIQHGVSCDDGCH-DLBZAZTESA-N 472.405 1.840 50 10 JDGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623410 HEGHKLVFQGBYHH-PEKVBPLLSA-N 452.536 1.779 50 10 JDGE CN1CCN(Nc2ncnc(NNC(=O)c3ccccc3Br)c2[N+](=O)[O-])CC1 40623654 HNFINRHVLQYEIA-UHFFFAOYSA-N 451.285 1.479 50 10 JDGE COC1(CCNS(=O)(=O)c2cn(C)nc2CCl)CN(C(=O)OCc2ccccc2)C1 2179993016 VOAUVNFSXJLYBX-UHFFFAOYSA-N 456.952 1.865 50 10 JDGE O=C(CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 2195884090 VYPXNKHJRRIQEE-SQNIBIBYSA-N 457.980 1.145 50 10 JDGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)COc1ncc(Br)cc1B(O)O 2240283293 HJIPMOKHHBUGDC-HNNXBMFYSA-N 451.073 1.938 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2cscc2B(O)O)C1 2243411956 CZYFRSLUDVWWFD-UHFFFAOYSA-N 452.363 1.238 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2B(O)O)C1 2255884269 VPDXQNWNOCHTHR-UHFFFAOYSA-N 464.324 1.316 50 10 JDGE Cc1ccc(B(O)O)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2281731323 UBDJVUUPHRNLIO-NRFANRHFSA-N 467.375 1.526 50 10 JDGE COc1cc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1F 169892102 JLYUJYNYLPMPKW-LSFURLLWSA-N 459.459 1.427 50 10 JDGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[S@@](=O)CC(=O)NNC(C)=O 586294245 MXQCPSDIIIJYQM-WJOKGBTCSA-N 465.553 1.755 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1977069250 CUMAUGVUPCNAKG-IHRRRGAJSA-N 453.298 1.630 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(S(=O)(=O)CI)C2 2007723517 WNSUNYNYQNHCOM-CQSZACIVSA-N 476.333 1.047 50 10 JDGE C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1)c1nscc1B(O)O 2256621575 WODCNTCOHDXCBW-SUNYJGFJSA-N 463.365 1.499 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCCc2cc(B(O)O)ccc21 2268721967 SOEQGHJWSZYSFX-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE COc1cc([N+](=O)[O-])cc([C@H]2OC(c3nc4nc(C)cc(C)n4n3)=NN2C(C)=O)c1OC(C)=O 102618224 YEFDBEVXRDWTSY-LJQANCHMSA-N 469.414 1.822 50 10 JDGE COc1cccc(/C=N/NC(=O)[C@H](C)Sc2n[nH]c(=O)[nH]c2=O)c1OCc1ccccc1 169890609 UJFGOSXDRIKLPT-YSRRJJCPSA-N 455.496 1.677 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COCC[C@H]1Br 710860708 ZEDRPAASRWWSCJ-HUUCEWRRSA-N 459.362 1.781 50 10 JDGE COc1ccc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c(OC)c1 1084648998 GEOYLWYSZFHPSH-UHFFFAOYSA-N 457.472 1.827 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)C[C@@H]1CCCO1 1926747181 WVLWXZMHRUOSDJ-KBPBESRZSA-N 459.362 1.925 50 10 JDGE CN(CCBr)CCN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022053 HFMSBRSGITWLGV-SFHVURJKSA-N 478.384 1.599 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)Cc1ccsc1Br 2218987834 QFVAQGJVIMDIAL-SSDOTTSWSA-N 468.132 1.907 50 10 JDGE CC(C)(C)OC(=O)NCCOCCOCCNS(=O)(=O)N1CCC(Br)CC1 2233850099 KGMDHNOVGKXTPP-UHFFFAOYSA-N 474.418 1.238 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OCC[C@]2(CBr)C1 2278888663 WIYFHHWFILRBLZ-SNRMKQJTSA-N 489.363 1.826 50 10 JDGE CCOCCCNC(=O)C(C#N)=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O 2314435467 NCQVANOGMQMYBF-UHFFFAOYSA-N 467.526 1.488 50 10 JDGE N#C/C(=C/c1ccc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc1)c1nn(CCO)c(N)c1C#N 33246637 SLDWQWCWXOAYKY-XFQWXJFMSA-N 480.492 1.100 50 10 JDGE CC/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(C)cc1 35303661 LDDIORAMNOBQCX-XKZIYDEJSA-N 467.519 1.506 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1OC 252668197 DXLHDILGGZRHFL-OAQYLSRUSA-N 489.553 1.918 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 2040426521 VVBXTYOPHAANSE-INIZCTEOSA-N 458.334 1.621 50 10 JDGE COC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)CI 2245275137 BISMTWYWTHPPTR-SNVBAGLBSA-N 464.322 1.535 50 10 JDGE O=C(N[C@@H]1CC[C@@H]1NS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl)OCc1ccccc1 2282366866 UUVLNAUHSRTRQH-CVEARBPZSA-N 473.143 1.409 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)Nc2ccc(B(O)O)cn2)CCN(Cc2ccccc2)CC1 2283953943 ZLXDTYSUKIPWMS-UHFFFAOYSA-N 468.363 1.650 50 10 JDGE Cc1nc(I)c(I)n1CCC[C@H]1C[C@H]1C(=O)NN 2315769106 GNTQUNNETHTTMJ-JGVFFNPUSA-N 474.084 1.807 50 10 JDGE CC(=O)Nc1ccc(NC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 2324187115 VNYRTLVCOOGPNE-UHFFFAOYSA-N 453.524 1.997 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1ccncc1)C=2C(=O)Nc1ccc(C)c(C)c1 33675820 CHGOOLRPWCXHFD-BUDOKORBSA-N 487.541 1.113 50 10 JDGE N#CC1=C(N)n2c(sc(=Cc3ccccc3[N+](=O)[O-])c2=O)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 252671167 MWOHUPUTVRGPOP-LJQANCHMSA-N 472.442 1.678 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccccc2[N+](=O)[O-])nnn1-c1nonc1N)C1CCCCC1 254852859 AEDMPMVIILVVHI-UHFFFAOYSA-N 468.478 1.669 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@]1(CBr)CCCOC1 700895073 XAPOIYOAHVNYDQ-SFHVURJKSA-N 459.362 1.784 50 10 JDGE CC(=O)c1ccc(CCNC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1313436469 HDVVXWJLPHLKFE-UHFFFAOYSA-N 458.540 1.860 50 10 JDGE CC(=O)Nc1nnc(S(=O)(=O)NNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)s1 1858081963 UVLPSTQZBIHMKF-UHFFFAOYSA-N 456.506 1.467 50 10 JDGE C[C@@H](C(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O)n1cnc2sc3c(c2c1=O)CCCC3 1860771894 LBCUVYBGLCTYIK-ZDUSSCGKSA-N 493.545 1.732 50 10 JDGE C[C@]1(CBr)COCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2003256970 PFBSVOFVARAWKN-SFHVURJKSA-N 459.362 1.878 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@H]21 2108232786 AYHNSHGIHZLMTM-BVNXPQQUSA-N 489.363 1.967 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B(O)O)cc2)CCN(Cc2ccccc2)CC1 2124541136 OYDWGSRBTVWKNF-UHFFFAOYSA-N 453.348 1.864 50 10 JDGE O=S(=O)(Cc1cccc(B(O)O)c1)NCCCN(Cc1ccccc1)Cc1ccccc1 2255754376 YMFOHTRPTZACIC-UHFFFAOYSA-N 452.385 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)c(B(O)O)c2)CCN1C(=O)OC(C)(C)C 2266940544 KMPYFPKWOVWLSX-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(F)cc1B(O)O 2282414671 WGLQZRAYQKTQCA-UHFFFAOYSA-N 484.358 1.255 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)s1 2283953298 RLNATKIMYIUTCY-UHFFFAOYSA-N 487.431 1.912 50 10 JDGE Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2297708270 RRTUPLLYDAIHIU-UHFFFAOYSA-N 467.358 1.341 50 10 JDGE CC(C)COc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 13630248 ZUDDDLKMNOLZTR-OAHLLOKOSA-N 458.540 1.999 50 10 JDGE Cc1cc(/C=C(/C#N)C(=O)N2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(C)n1C1CC1 40018281 OCXWWWZDOZDEKY-WQRHYEAKSA-N 484.582 1.317 50 10 JDGE O=C(NNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658650 WDIMCLBXKVFMGB-UHFFFAOYSA-N 473.793 1.855 50 10 JDGE COc1cc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc(OC)c1OC 254479786 YZXDYNSOQQXAIC-UHFFFAOYSA-N 470.482 1.274 50 10 JDGE C[C@@H](NC(=O)COc1ccc(C=NNC(=O)C(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1 1084548819 YKINTBRQXXPMQX-UTKZUKDTSA-N 452.511 1.688 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cnc2s1 1865845484 SNBPYUCICZNZIZ-CYBMUJFWSA-N 463.560 1.815 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106306153 WBHRFEMNEVUZHQ-REWJHTLYSA-N 454.387 1.361 50 10 JDGE O=S1(=O)C[C@H]2C[C@H]1CN2S(=O)(=O)c1cc(CBr)sc1Br 2179786259 YBZASLOSZASQAM-SVRRBLITSA-N 465.210 1.966 50 10 JDGE Cc1nsc(B(O)O)c1C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2267435650 MLQJAFUJCJGRJJ-UHFFFAOYSA-N 486.400 1.059 50 10 JDGE COc1ccc(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1 2267454934 ZIBCVDPBEBPBHW-UHFFFAOYSA-N 456.304 1.568 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268647344 YXNMSANUHISHIE-MAUKXSAKSA-N 476.408 1.368 50 10 JDGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NCCOC)C1 2296731450 YKLKITOMMTZWJW-KRWDZBQOSA-N 467.526 1.452 50 10 JDGE CC(C)OCCCNC(=O)C(C#N)=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O 2314435485 UZRCFFXYLXDBIA-UHFFFAOYSA-N 481.553 1.876 50 10 JDGE Cc1ccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(F)c1B(O)O 2381159136 HAOGYAMGPHMRAS-DEOSSOPVSA-N 471.338 1.922 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br 14645280 DNRKXTZKPWPXMG-UHFFFAOYSA-N 476.349 1.128 50 10 JDGE O=C(CBr)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 28763704 LLJPZWYDUXHCIX-HAOCKTTRSA-N 463.372 1.836 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccc2c(c1)OCO2 254594257 AMBMVQLWNPUAFT-LBPRGKRZSA-N 467.490 1.490 50 10 JDGE NNC(=O)Cc1ccccc1Cn1cnc(I)c1I 311613529 QXVSYBQHKJRCKO-UHFFFAOYSA-N 482.063 1.673 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1 1084266763 XKZXKNGJNZLZPQ-FQEVSTJZSA-N 472.929 1.781 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=S)Nc2ccc(N(C)C)cc2)s1 1455413819 GADVKLCSZGEUEE-UHFFFAOYSA-N 453.615 1.839 50 10 JDGE COc1ccc(CN2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962227 RISLTULMBLLJDG-RBUKOAKNSA-N 451.527 1.821 50 10 JDGE CO[C@@H](CBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2245986037 LXACDGYISQDOPK-ZBEGNZNMSA-N 451.314 1.340 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2c(cccc2B(O)O)C1 2268702737 XUOHTRPCKIKZOU-NRFANRHFSA-N 454.332 1.361 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2ccc(B(O)O)cc2C1 2283936627 OMXZIPFTDGDAMY-QFIPXVFZSA-N 468.359 1.751 50 10 JDGE CCOCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630291 SEMWWBQIMGESHR-INIZCTEOSA-N 474.539 1.379 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1COC1 2000537654 DELDWEXYMFIVFF-KRWDZBQOSA-N 463.325 1.436 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CBr)C[C@@H]21 2079095993 DLFQZRKHHFPQOW-XOKHGSTOSA-N 471.373 1.877 50 10 JDGE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2282735846 HJGRYGBJFIAMOC-MRXNPFEDSA-N 452.725 1.051 50 10 JDGE CC(C)(C)OC(=O)NC[C@]1(Oc2ccc(B(O)O)cc2C#N)CCN(Cc2ccccc2)C1 2339380177 MZTKBXUDYBJHNE-XMMPIXPASA-N 451.332 1.786 50 10 JDGE CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc(Cl)c1OC(C)C 169890803 HIKVERNJYGZRLC-OTWRLEFPSA-N 455.924 1.928 50 10 JDGE CN(CCOCCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994284 QZEMWNZQKGTYKM-UHFFFAOYSA-N 461.378 1.982 50 10 JDGE COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)C(=O)NCc2cccnc2)cc1 1084229114 NMLBECCZKGKDGY-UHFFFAOYSA-N 461.478 1.874 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3ccccc3C)CC2)c1 1127000110 VJOWCUSCXUMQDA-UHFFFAOYSA-N 457.552 1.988 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)c1cscc1Br 1940499159 BRDGWJCDPLGTHM-LURJTMIESA-N 454.105 1.766 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@H](OCCBr)C1 2046752014 OMYOEVRZYWYZOY-FZKQIMNGSA-N 477.352 1.826 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(S(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2185532745 JHXHHSRIYVBODT-LSDHHAIUSA-N 468.414 1.801 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2COC[C@@]2(CBr)C1 2219057294 NPJQZOGYVDFTMD-AUUYWEPGSA-N 471.373 1.736 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(B(O)O)c2Cl)CCN1C(=O)OC(C)(C)C 2266938242 OOUXLEXGJOKSJT-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B(O)O)cc2Cl)CCN1C(=O)OC(C)(C)C 2267050040 WRAJGZOFVSKLEJ-UHFFFAOYSA-N 484.746 1.260 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNc2ccc(C=O)c(B(O)O)c2)C1 2339542911 IYUHTYVEEWNXIV-OAQYLSRUSA-N 453.348 1.712 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(O)cc2O)c1CN1CCCc2ccccc21 254483860 TVSIBSPXOOHDIB-UHFFFAOYSA-N 475.469 1.360 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cc(F)c(F)c(F)c3)c2)CC1 1151493822 BNWNTWYIBWJMFK-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE C=C[C@@](C)(CC)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 1629374764 MAWCKOCXGOEJOO-QHCPKHFHSA-N 452.515 1.178 50 10 JDGE CO[C@@H](CCBr)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2002978950 MZWBWIDBFMKUNH-SJCJKPOMSA-N 465.341 1.730 50 10 JDGE CO[C@H]1C[C@@](CBr)(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2021468008 YNHZSBTXVCRMQX-QGGXVJLZSA-N 459.362 1.925 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)[C@H]2COC[C@@H]21 2040596367 MURNAZBIEQEWIS-IKGGRYGDSA-N 471.373 1.877 50 10 JDGE OB(O)c1ccc(I)c(OC(F)(F)F)c1I 2060035548 LUBQXJOMUOUTTF-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)Cc2ccsc2B(O)O)C1 2247880714 KFJHTRJXOFBDMI-UHFFFAOYSA-N 466.390 1.379 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B(O)O)c1 2268640577 IABFZTWUPKPNSU-LAUBAEHRSA-N 456.348 1.823 50 10 JDGE CN(Cc1csc(B(O)O)c1)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268792961 HKLRZNWBKSLRDT-UHFFFAOYSA-N 474.388 1.840 50 10 JDGE Cc1nc2ccccn2c1C(=O)NNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 17582149 GVMWMVWMGHCJJE-UHFFFAOYSA-N 470.283 1.853 50 10 JDGE O=C(NNc1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 40613489 GQPFEECCKMESQM-UHFFFAOYSA-N 477.525 1.774 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)CNC(=O)c1cccs1)c1cccc(Br)c1 1264889502 IPOSMBJADZBKNS-HNNXBMFYSA-N 453.318 1.265 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc(F)cc4)c(=O)c23)C1 1860770466 JOJKLFUSKYOWTI-NSHDSACASA-N 450.517 1.732 50 10 JDGE Cc1ccc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(B(O)O)c1 2281733142 MDYXBOQBBFOYJH-FQEVSTJZSA-N 467.375 1.526 50 10 JDGE Cc1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)ccc1B(O)O 2282720891 HULLHMWFLBJSBF-UHFFFAOYSA-N 499.395 1.068 50 10 JDGE Cc1csc(CNC(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)c1B(O)O 2284069650 UYBSODSZSFYRCD-UHFFFAOYSA-N 487.431 1.912 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2c(F)cccc2B(O)O)C1 2287640581 WHEGFVHKMQQJTB-UHFFFAOYSA-N 481.330 1.092 50 10 JDGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])CC1 40618834 XDYNQOMVEPDRKW-UHFFFAOYSA-N 473.446 1.758 50 10 JDGE CC(C)C(=O)Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C)c2[nH]1 204750206 HKUCCPHGYWSUOP-ZLJVHPLZSA-N 467.599 1.355 50 10 JDGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccc2c(c1)OCO2 217001226 KDCUMTKUOXHWPZ-SDXDJHTJSA-N 454.508 1.445 50 10 JDGE COc1cc(C=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)cc(OC)c1OC 1084591911 YWDULJBIFYKPOT-UHFFFAOYSA-N 485.526 1.830 50 10 JDGE CC(=O)N/C(=C\c1cccs1)C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 1293354033 XDZSRQSBLSJMMW-VBKFSLOCSA-N 451.549 1.955 50 10 JDGE C#Cc1cccc(NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1622737634 JMLXHNTXAUQKQQ-UHFFFAOYSA-N 456.524 1.474 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1csc(I)c1 2008523071 YFTHJFWVEIIIHH-NKWVEPMBSA-N 450.117 1.643 50 10 JDGE C[C@H](NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)c1nscc1B(O)O 2243662608 BSEPJGAPMJIJDY-UONOGXRCSA-N 465.340 1.927 50 10 JDGE Cc1cc(B(O)O)ccc1S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2255885789 WERYTBVERDCRGY-UHFFFAOYSA-N 462.377 1.781 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B(O)O 2256620739 MDADEOYUNBUKHG-DNVCBOLYSA-N 462.377 1.885 50 10 JDGE COc1ccc(B(O)O)cc1S(=O)(=O)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2267381434 VBXRBUBOHWJUBG-UHFFFAOYSA-N 476.360 1.185 50 10 JDGE CN([C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2282360688 GLFWAJFBYOKMCD-ROUUACIJSA-N 452.725 1.098 50 10 JDGE Nn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104767363 VCPHXIFPKFBGED-UFWORHAWSA-N 487.414 1.626 50 10 JDGE Cn1nc(CNS(=O)(=O)N2CCC(Cl)CC2)c(I)c1Cl 2240598318 QATQGOAEUKJQHQ-UHFFFAOYSA-N 453.133 1.716 50 10 JDGE Cc1sc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)cc1B(O)O 2255684502 MOIIKQTXYXAGSZ-UHFFFAOYSA-N 450.369 1.938 50 10 JDGE Cc1cc(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2273773767 SWTTXSLIJPECKR-FQEVSTJZSA-N 456.348 1.791 50 10 JDGE O=C(CCC(=O)NNC(=S)NC(=O)c1ccc(Br)o1)NCc1ccccc1 12570784 WTQRDWWUZGUUMM-UHFFFAOYSA-N 453.318 1.774 50 10 JDGE CC(C)OC(=O)C1=c2s/c(=C/c3ccc(O)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(O)cc1 97414808 UXZSHVIFAQOUGJ-FHTAPLDASA-N 475.526 1.700 50 10 JDGE O=C(NNC(=O)C1CCC(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1)c1cccc([N+](=O)[O-])c1 100103714 DPNGVUORNLSZSC-UHFFFAOYSA-N 498.452 1.532 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 254505228 YUDVREBWLOBEAT-UHFFFAOYSA-N 477.397 1.690 50 10 JDGE CS(=O)(=O)N[C@@H]1CCCN(C(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccccc2)C1 915199465 CPLDHVYVXMWIEO-ITICKHJUSA-N 452.540 1.911 50 10 JDGE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 1293354498 ZNOUNIDLQBJLSW-LJQANCHMSA-N 459.547 1.690 50 10 JDGE C[C@@H](C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O)n1cnc2sc3c(c2c1=O)CCCC3 1860771566 AHUTWNBUXWOFJR-LBPRGKRZSA-N 479.518 1.341 50 10 JDGE O=C(OCc1ccccc1)N1CC2(CC=CCN2c2ncc(Br)cc2B(O)O)C1 2231673883 HLVNUIWMIDQVDQ-UHFFFAOYSA-N 458.121 1.681 50 10 JDGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@H]1CCN(S(C)(=O)=O)C1 2244066912 RAWXOGNESFXWBH-FZMZJTMJSA-N 462.350 1.755 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(B(O)O)cc1Cl)OCc1ccccc1 2255754813 GBENOMLLUYQLLR-UHFFFAOYSA-N 484.767 1.667 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B(O)O)co2)CCN(Cc2ccccc2)CC1 2270502266 TYIDEXDGIOPBGE-UHFFFAOYSA-N 457.336 1.249 50 10 JDGE Cc1sc(C)c(S(=O)(=O)NCCCCCNC(=O)OCc2ccccc2)c1B(O)O 2282374561 CMXPYXLXSLWWFJ-UHFFFAOYSA-N 454.379 1.420 50 10 JDGE C[C@H](c1cscc1B(O)O)N(C)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283967413 CMZXMDBAGXSSNJ-BEFAXECRSA-N 490.387 1.974 50 10 JDGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NNC(=O)Cn1c(O)nc2ccccc2c1=O 2328792500 MBWWWVYWMNIBCT-UHFFFAOYSA-N 479.449 1.538 50 10 JDGE CCN(C[C@@H](Cl)OS(C)(=O)=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 95483588 KSARFVFUQIMFOO-KBPBESRZSA-N 450.897 1.102 50 10 JDGE O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 728210569 PAMJZQCAPLSMPC-UHFFFAOYSA-N 478.596 1.671 50 10 JDGE O=S(=O)(CCl)Nc1c(I)ncnc1I 1260929899 IIYVUSCYEQXDPC-UHFFFAOYSA-N 459.434 1.624 50 10 JDGE CO[C@H]1C[C@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942096085 ZTVNFWAORWNSSD-KGLIPLIRSA-N 459.362 1.877 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cccc(F)c1I 2121328933 GPLDPUALFBUCOD-APPZFPTMSA-N 462.078 1.721 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2cccc(B(O)O)c2)CCN(Cc2ccccc2)C1 2268634431 YENABVOPXCLCLM-DEOSSOPVSA-N 453.348 1.152 50 10 JDGE CC[C@]1(NS(=O)(=O)c2cscc2B(O)O)CCCN(C(=O)OCc2ccccc2)C1 2282736831 WJDKOOVLTPTFBM-IBGZPJMESA-N 452.363 1.288 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1B(O)O 2282737750 KUCMUGGLALJNAW-IBGZPJMESA-N 452.363 1.124 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCc2ccc(B(O)O)cc21 2283966749 WVTQJORPTLHIKD-IBGZPJMESA-N 468.315 1.282 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1cc(F)c(F)cc1B(O)O)Cc1ccccc1 2351781761 USGRLJRKHAXNHS-UHFFFAOYSA-N 463.290 1.610 50 10 JDGE CCc1ccc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2ccc(CC)cc2)cc1 100063222 GAGMCQCODANMIG-UHFFFAOYSA-N 484.553 1.734 50 10 JDGE CCOc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 254760489 ZZPVGUIXCMBSEB-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE C#CCN1CCN(C(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)CC1 1648424884 CEVQNRJVHVTEQG-NBVRZTHBSA-N 450.930 1.763 50 10 JDGE C[C@H](C(=O)N1CCC[C@H](C(=O)NNc2ccccn2)C1)N1C(=O)c2ccc(C(=O)O)cc2C1=O 1873777814 STEZRELTNCRYBJ-HIFRSBDPSA-N 465.466 1.146 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 2177849003 NVRSBZBLORZLDH-RKDXNWHRSA-N 451.133 1.427 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)C1=CNc1cccc(NC=C2C(=O)N(C)C(=O)C(C#N)=C2C)c1 2297532032 HEPBYCSRWKBAMW-UHFFFAOYSA-N 456.462 1.956 50 10 JDGE CCc1ccccc1OCC(=O)NN[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 25393530 JYOZHPOMLOBREQ-QGZVFWFLSA-N 490.582 1.297 50 10 JDGE C/C(=N/NC(=O)CSc1nc(C)cc(C)n1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 96698287 HJZQQYULMWOYJF-IWIPYMOSSA-N 479.584 1.869 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCN2C[C@H](Br)C[C@@H]2C1 703958204 NCOMCVLWZQZYMH-ZIAGYGMSSA-N 456.362 1.156 50 10 JDGE COC(=O)c1ccccc1N1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777305 FANCUXLWDIHERT-DLBZAZTESA-N 465.510 1.603 50 10 JDGE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)CI)C1 1884474960 WUAKOKTVUFUDNX-YBYGRFCBSA-N 452.336 1.721 50 10 JDGE COCCN(CCBr)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000540482 FOIAIJMNQQNKHW-QGZVFWFLSA-N 465.341 1.684 50 10 JDGE COc1cc(C=CC(=O)O)cc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c1OC 2040842282 UUIHHIDFFJDBHR-UHFFFAOYSA-N 488.316 1.526 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](Oc2ncc(Br)cc2B(O)O)(C(F)(F)F)C1 2240336733 RMGGJJDWPZMNRG-CQSZACIVSA-N 455.036 1.845 50 10 JDGE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)sc1B(O)O 2256621165 RDQXLTSQQXHKAS-CRAIPNDOSA-N 462.377 1.851 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B(O)O)c1 2256625306 UURYNIBDZZSRJM-HNAYVOBHSA-N 462.377 1.885 50 10 JDGE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CCOCCI)C1 2326649283 VBTPRBLAUOMSAA-CQSZACIVSA-N 469.364 1.791 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(F)cc1B(O)O 2351780340 FLVXDPOPDQFXIT-LJQANCHMSA-N 463.290 1.608 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cn(C)nc1C 20291381 YSOANRKUFKCLHW-UFFVCSGVSA-N 450.532 1.541 50 10 JDGE CCOc1c(OC)cc(/C=N\NC(=O)c2cc(C)nn2-c2nnc(C)c(=O)[nH]2)cc1[N+](=O)[O-] 169921335 CBAMQQVPODCNCI-UKWGHVSLSA-N 456.419 1.047 50 10 JDGE COc1ccc(C(=O)NNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(OC)c1 731178728 WLFFCZGYQSQGAZ-UHFFFAOYSA-N 460.262 1.998 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(I)C1 1904389268 DKRAOCSIAQOVDF-HNNXBMFYSA-N 466.272 1.460 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCCc1cccc(B(O)O)c1 2140554285 FZUVNFDFXFNDBQ-NRFANRHFSA-N 456.348 1.525 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2COC[C@@]2(CBr)C1 2213808456 GDCYPQNKNWLDQH-SCLBCKFNSA-N 457.346 1.346 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256680482 XHRKKZFQXIMEQO-SFHVURJKSA-N 462.377 1.887 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc21 2268648977 AANHRPDDKMHSAP-FQEVSTJZSA-N 453.348 1.281 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)c1B(O)O 2282380204 FRSRKDAHXZCICF-MRXNPFEDSA-N 452.363 1.124 50 10 JDGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2314109185 HEGHKLVFQGBYHH-SFHVURJKSA-N 452.536 1.779 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2CCCN(S(C)(=O)=O)C2)C1 2249187029 DVCYPFQPFIHUGG-FRRDWIJNSA-N 474.361 1.850 50 10 JDGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100077758 QGFSLRPZMJMNBO-UHFFFAOYSA-N 464.372 1.126 50 10 JDGE COc1cc(C=NNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc([N+](=O)[O-])c1O 254303177 HISVOYGSNKUCIJ-UHFFFAOYSA-N 462.415 1.215 50 10 JDGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(N)=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 299873054 GFJQQPYCTIQFPJ-SXSIPTROSA-N 461.559 1.353 50 10 JDGE COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2ccccn2)c(OC)c1 1565518931 RQDWXEGFZHLKIY-FQEVSTJZSA-N 453.455 1.420 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](NS(=O)(=O)N3CCC(Br)CC3)CO[C@H]2C1 2121647539 ZUXHUENWSFYGNZ-IHRRRGAJSA-N 454.387 1.314 50 10 JDGE O=C(NCCNS(=O)(=O)Cc1ccsc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243412096 GHVOXBUJNUYSBC-UHFFFAOYSA-N 486.380 1.386 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2sccc2B(O)O)C1 2255515877 DCWZCBPZXWAQNO-KRWDZBQOSA-N 459.377 1.279 50 10 JDGE COc1ccc(S(=O)(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)cc1B(O)O 2267624348 XFCBCRPGFMJLIW-UHFFFAOYSA-N 480.348 1.022 50 10 JDGE CN(Cc1csc(B(O)O)c1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268634380 XRXFQINDXDYYCN-HSZRJFAPSA-N 473.404 1.556 50 10 JDGE Cc1c(B(O)O)cccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2281740669 TXFGUYHCIJCSQW-HXUWFJFHSA-N 467.375 1.526 50 10 JDGE O=C(NCCCCCNS(=O)(=O)c1c(Cl)cccc1B(O)O)OCc1ccccc1 2282377432 QNSSIKXKQLXSDC-UHFFFAOYSA-N 454.741 1.395 50 10 JDGE CC(C)(C)OC(=O)N1CC([C@@H]2C(=O)NCCN2CCOCCI)C1 2306853243 VBFITRSVCIXDKO-CYBMUJFWSA-N 453.321 1.105 50 10 JDGE COC(=O)C1=c2sc(=Cc3ccc(F)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1 254508143 DKVJJYTVPPFIIZ-SFHVURJKSA-N 451.454 1.789 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccc(F)c1)C=2C(=O)Nc1ccc(C)cc1 1080323740 VFPSUOZMWBZXBA-HXUWFJFHSA-N 490.516 1.549 50 10 JDGE CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1 1679491526 DKUVBHKINZUYBU-MRXNPFEDSA-N 455.515 1.018 50 10 JDGE CC(C)(C)OC(=O)N1CCNC(=O)CCN(CCOCCI)CC1 2306802313 NTVLRWMKVXLMMB-UHFFFAOYSA-N 455.337 1.497 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCN(/C=C(/C#N)C(=O)Nc3cccc(S(=O)(=O)O)c3)CC2)cc1 216962523 NUPSARZRMKXMIQ-ICFOKQHNSA-N 490.563 1.594 50 10 JDGE Cc1csc([C@H](C)NC(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 727942283 BNCRCHXFKFQTHC-HNNXBMFYSA-N 481.600 1.497 50 10 JDGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 921059154 SZFVLCIFBSVIOA-CQSZACIVSA-N 454.555 1.231 50 10 JDGE Cc1nc(I)c(I)n1C[C@H]1CCC[C@H](C(=O)NN)O1 1879471926 ILZGUOOZMWRRCX-HTQZYQBOSA-N 490.083 1.328 50 10 JDGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 1942094732 IQPQQIMQDDDGBT-KGLIPLIRSA-N 459.362 1.877 50 10 JDGE CN1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](CCBr)C1 2023934553 LHBZFMMLNANPQP-AWEZNQCLSA-N 458.378 1.404 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2csc(B(O)O)c2)C1 2255462576 XHXNUSJKDGUHKP-SFHVURJKSA-N 459.377 1.279 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2sc(B(O)O)cc2C1)Cc1ccccc1 2268688939 WDVJLVAUEBUOIG-UHFFFAOYSA-N 473.404 1.340 50 10 JDGE COc1ccc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278704090 NVKAKKQXGXGLMI-IBGZPJMESA-N 458.320 1.101 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H]2OC[C@H](CCl)O[C@@H]2C1 2279895709 PYSFQOPYEZXKGZ-JCGIZDLHSA-N 456.948 1.490 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2ccc(B(O)O)cc21 2284067265 IVDIDQASAWYZBC-OAQYLSRUSA-N 467.375 1.671 50 10 JDGE O=S1(=O)C[C@@H]2CN(S(=O)(=O)c3cc(CBr)sc3Br)C[C@@H]21 2361659863 WOUACOJTNFHOLO-RCOVLWMOSA-N 465.210 1.823 50 10 JDGE COc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1OC 14011537 KMQVDBUYVFRTCQ-UHFFFAOYSA-N 459.524 1.905 50 10 JDGE O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NC1CCN(C(=O)CCCl)CC1 169887097 PDTNGEANNGIXHC-UHFFFAOYSA-N 450.879 1.707 50 10 JDGE CCN(CC)C(=O)CNS(=O)(=O)c1ccccc1C(=O)NN=Cc1ccc(OC)c(OC)c1 254834979 PAZACANKQIKMMR-UHFFFAOYSA-N 476.555 1.614 50 10 JDGE C[C@@H](Br)C[C@@H]1COCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2013002668 SZBXBQPIYFEOTF-ZIAGYGMSSA-N 459.362 1.877 50 10 JDGE O=C(N[C@H]1COCC[C@H]1NS(=O)(=O)N1CCC(Br)CC1)OCc1ccccc1 2044256250 ALPNQARQYBNEDK-SJORKVTESA-N 476.393 1.764 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC1(CCl)CCS(=O)(=O)CC1 2135062380 USKRPSFHFLPENI-UHFFFAOYSA-N 462.977 1.026 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc21 2268633729 DSWSMHLDGGHOKN-IIBYNOLFSA-N 454.332 1.754 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNS(=O)(=O)c3ccc(OC)c(OC)c3)cnc2s1 1860770645 QNZNUUQIRQDDQF-UHFFFAOYSA-N 452.514 1.047 50 10 JDGE CN(C)c1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961593 MEKHACPIXUOMQV-MSOLQXFVSA-N 450.543 1.882 50 10 JDGE COc1ccc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)c(Br)c1OC 2323160350 CIIDORKHRFIKFW-SSDOTTSWSA-N 458.294 1.693 50 10 JDGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CN2CCOCC2)cc1OC 19890636 WAHURISFGLKXAI-UHFFFAOYSA-N 458.309 1.182 50 10 JDGE COC1=CC=C/C(=C\NNC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)C1=O 100527751 NIRHKVKPOFSYEL-JXMROGBWSA-N 464.232 1.983 50 10 JDGE N#C/C(=C/Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1cccnc1 216846120 IHRKCGWZSVTYKE-PEZBUJJGSA-N 461.931 1.892 50 10 JDGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)=C/c1ccccc1 254618087 ZLRZRQDBOXTJAU-QHOLZJMQSA-N 465.503 1.472 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1 729448911 GKAURURBDTYBQR-AVAGLIGESA-N 480.569 1.566 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(S(C)(=O)=O)cc1 1135533302 IGWCZABDDXDTJO-JOCHJYFZSA-N 456.524 1.313 50 10 JDGE COC1(CBr)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000533079 OMZYBQGOWUTUHW-MRXNPFEDSA-N 463.325 1.436 50 10 JDGE Cn1nc(Br)cc1S(=O)(=O)NCCOCCCI 2042200171 FSZUGGVVEZWMNR-UHFFFAOYSA-N 452.112 1.303 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)S(=O)(=O)N1CCC(Br)CC1 2163056007 NHPXHQUIIKOXFZ-HNNXBMFYSA-N 470.430 1.784 50 10 JDGE Cc1c(B(O)O)csc1C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2255777848 JXUWFBSCAIFQFF-UHFFFAOYSA-N 471.385 1.228 50 10 JDGE CC1(C)S[C@@H]2[C@H](NC(=O)C(C#N)=Cc3ccc(Br)cc3)C(=O)N2[C@H]1C(=O)O 2329658796 UJENERZGQQLCSS-DVOMOZLQSA-N 450.314 1.988 50 10 JDGE C[C@H]1CCCCN1Cc1c(C(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)nnn1-c1nonc1N 254554830 FABADPANNBPKOC-NSHDSACASA-N 498.460 1.008 50 10 JDGE Cc1ccc(C(=O)NNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)N(C)C 1858082211 PJLBEIDZNLQOPR-UHFFFAOYSA-N 469.564 1.152 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(Cl)cc(B(O)O)c2)C1 2282154673 LGMHSEKZRUVRQC-OAQYLSRUSA-N 487.793 1.871 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1C 33617806 UISUGLRUQUGFLW-DMVFFGLYSA-N 492.582 1.779 50 10 JDGE CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1OC 749160962 HYGZIZLTKZPWQW-AWEZNQCLSA-N 453.542 1.770 50 10 JDGE CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H](CBr)C1 1942096795 DFOGVAHQCYEVHT-AWEZNQCLSA-N 458.378 1.404 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2008658345 AFOLGFQCSYKDNS-MAZHCROVSA-N 457.346 1.344 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2162589636 SEXUPVOPNORLBF-LJISPDSOSA-N 468.414 1.751 50 10 JDGE COCCNC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O 2296731350 PZVRIVWLPZASPL-UHFFFAOYSA-N 486.576 1.995 50 10 JDGE O=C(NN=Cc1cc([N+](=O)[O-])c(O)cc1O)[C@@H](Sc1nnc(O)nc1O)c1ccccc1 2323173014 UTRQFXOCMWZGPS-AWEZNQCLSA-N 458.412 1.586 50 10 JDGE NNC(=O)[C@]12CO[C@](COc3cc(Br)cc(I)c3)(C1)C2 2364066796 PNEYUDGABLYHAK-JOCQHMNTSA-N 453.074 1.972 50 10 JDGE CN(C)C[C@@H](Br)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 690328640 SBBWTUDGUQETDV-CQSZACIVSA-N 474.421 1.896 50 10 JDGE C[C@H](Br)C[C@H]1COCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2013002665 SZBXBQPIYFEOTF-KBPBESRZSA-N 459.362 1.877 50 10 JDGE C[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2192451532 IGJWUPRBCSWHHL-AWEZNQCLSA-N 469.446 1.621 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)c2ncc(Br)cc2B(O)O)C1 2217196518 GWYQGSRHMFEEJQ-UHFFFAOYSA-N 492.179 1.512 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N(C)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c1B(O)O 2282380225 GDCOOHPUDXGFAH-INIZCTEOSA-N 452.363 1.076 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCc2ccc(B(O)O)cc2F)C1 2285186812 VIIZUISJSFTWKU-UHFFFAOYSA-N 472.322 1.576 50 10 JDGE Cc1cc(CNC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)ccc1B(O)O 2289459038 GDEQXDRMNCOZLU-UHFFFAOYSA-N 468.359 1.745 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(C=O)c(B(O)O)c2)CC1 2365064400 NTLBDTHFGFKHRA-UHFFFAOYSA-N 477.367 1.473 50 10 JDGE COC(=O)c1ccccc1NC(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1 217226453 SYNWFXAPTOVSGZ-MSUUIHNZSA-N 454.508 1.826 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(O)cc2O)c1CSc1ccccc1 254394827 SKPPZILRQXXGLL-UHFFFAOYSA-N 452.456 1.700 50 10 JDGE C=CCOc1ccc(C=NNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 254733437 ZBMQDCJANUBUJY-UHFFFAOYSA-N 474.539 1.989 50 10 JDGE O=C(N[C@H]1CC[C@H](C(F)(F)F)N(S(=O)(=O)CI)C1)C(F)(F)F 1983328225 VJCVIYFOJWPYLA-NTSWFWBYSA-N 468.157 1.783 50 10 JDGE O=C(NCCNS(=O)(=O)Cc1ccccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2247951668 JNHXYKQTEQHUQI-UHFFFAOYSA-N 480.351 1.325 50 10 JDGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2248892830 JIYCXEUHQCWCHG-IBGZPJMESA-N 480.355 1.532 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2256624038 UHJBLRXBECTYQQ-MRXNPFEDSA-N 462.743 1.379 50 10 JDGE Cc1cc(CN(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)sc1B(O)O 2268688926 WBASXPNALMWVOU-UHFFFAOYSA-N 475.420 1.722 50 10 JDGE Cc1ccc(CNC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2296188114 JTKXLCSOUVRHSA-UHFFFAOYSA-N 468.359 1.745 50 10 JDGE Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/NC(=O)CSc1nc(N)cc(N)n1 253573066 QYRVZMXJWVAPPN-WYMPLXKRSA-N 467.559 1.214 50 10 JDGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3ccc(OC)cc3OC)CC2)cc1 730581064 SQCHMLCZJBOJHR-UHFFFAOYSA-N 457.531 1.479 50 10 JDGE C#CCOc1cccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1465626876 JRWSSRPZLHKEDQ-UHFFFAOYSA-N 458.496 1.186 50 10 JDGE CC(C)N1C(=O)c2ccc(C(=O)NNC(=O)Cn3cnc4sc5c(c4c3=O)CCCC5)cc2C1=O 1865852480 YMZIGVDSDBQCLM-UHFFFAOYSA-N 493.545 1.802 50 10 JDGE CN1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2046026550 SGHLAOLKLHXVHZ-UGSOOPFHSA-N 476.368 1.352 50 10 JDGE Cc1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Br)c1I 2121335996 DKBGIPOZZZLRNN-NXEZZACHSA-N 458.115 1.890 50 10 JDGE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)N3CCC(Br)CC3)C2)C1 2126359889 UOWIIRWUEVOUKE-UHFFFAOYSA-N 472.427 1.809 50 10 JDGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cc1 15243836 IBBPDKFDGBVVIR-UHFFFAOYSA-N 461.525 1.517 50 10 JDGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] 40658425 RHRLFKNANGDJSI-UHFFFAOYSA-N 452.387 1.736 50 10 JDGE COc1cc(OC)c(OC)cc1C=NNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 254345016 UEPPHCIOMDTNRN-UHFFFAOYSA-N 470.482 1.274 50 10 JDGE COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)C(N)=O)ccc1O 254440974 BUKFDNXANIDJEY-UHFFFAOYSA-N 471.426 1.258 50 10 JDGE CC(C)NC(=O)COc1ccc(C=NNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 1084650393 WNGORDJFXHUUDU-UHFFFAOYSA-N 464.519 1.645 50 10 JDGE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 1545967984 RNHWIZBMVRSCLL-UHFFFAOYSA-N 452.455 1.233 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@H](OCCCBr)C1 2026090666 IMNPKQVWSSJQLP-AWEZNQCLSA-N 459.362 1.878 50 10 JDGE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CCC(Br)CC2)C1 2162592774 XTOBBGMBTFZJIU-UHFFFAOYSA-N 470.386 1.279 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2247945752 AOJGABHCTXNNMS-UHFFFAOYSA-N 468.768 1.735 50 10 JDGE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)oc1B(O)O 2255577003 NVHYYMCQLZHZBX-UHFFFAOYSA-N 453.301 1.113 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2sc(B(O)O)cc2C1 2256671978 ZWWSBEFRPNPQAD-KRWDZBQOSA-N 460.361 1.423 50 10 JDGE COc1cccc(B(O)O)c1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2267049082 QQYLFMFCXGWJNI-UHFFFAOYSA-N 490.321 1.965 50 10 JDGE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccnc1 33932690 WFSVLRMZGUCOCN-CXUHLZMHSA-N 456.505 1.863 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@H]3CCCN(C(=O)CCl)C3)nc2)OC1(C)C 204882564 YTTAZRMBCISNRW-OAHLLOKOSA-N 471.816 1.807 50 10 JDGE C=CCc1cccc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1O 254506497 OPSZCEMAOYHKPP-UHFFFAOYSA-N 456.568 1.886 50 10 JDGE C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)c1 1466574495 JCPMPGCBDBWCCX-UHFFFAOYSA-N 451.508 1.680 50 10 JDGE COC(=O)[C@H](I)CNC(=O)c1nn(C)c(Cl)c1Br 2048145616 DHVJQVJINFHIGP-SCSAIBSYSA-N 450.458 1.542 50 10 JDGE O=C1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCN1CCBr 2114632472 WCQKHBHPXNZCJL-UHFFFAOYSA-N 486.388 1.322 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccc(B(O)O)cc2)CCN(Cc2ccccc2)C1 2140563720 KKBJJVWSANTERH-XMMPIXPASA-N 453.348 1.152 50 10 JDGE Cc1c(B(O)O)cccc1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2267255219 NMEXDTZHUSIANV-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1B(O)O 2267380330 DEGGKXXTKWKKJQ-UHFFFAOYSA-N 484.330 1.750 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cccc(Cl)c2B(O)O)C1 2267934483 ZKUCBWKZYLQKSW-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc2C1 2283987789 MSFATCROOBEYFC-JOCHJYFZSA-N 467.375 1.276 50 10 JDGE N#C/C(=C\[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)N1CCN(c2ccccc2)CC1 103882606 YSLUQOZKHCHTNN-XBVMLYLOSA-N 459.531 1.849 50 10 JDGE COc1ccc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1OCc1ccc(C)cc1 169891971 WRQGXPMBMPXCFC-LSHDLFTRSA-N 455.496 1.597 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c(OC)c1 254382342 UQWLZVJFWXWKDI-UHFFFAOYSA-N 479.413 1.589 50 10 JDGE COCCN(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 707372464 FMZJUFCJAXTFTN-UHFFFAOYSA-N 461.378 1.982 50 10 JDGE C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1135580646 CNHBUTKHLIVJON-NRFANRHFSA-N 454.552 1.963 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1 1637299235 OYZDTKWBCAKUHH-HNNXBMFYSA-N 454.574 1.314 50 10 JDGE CO[C@H]1C[C@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2048330563 UMCCTHKZXSZFIB-FHSNZYRGSA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)N2CCC(Br)CC2)CCOCC1 2106305082 LPVNXECQWPHMHC-UHFFFAOYSA-N 456.403 1.754 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCCc1ccc(B(O)O)cc1 2140567883 RGHYZUONVVXTAU-OAQYLSRUSA-N 456.348 1.525 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2233980780 ZTNZJIZPJNZFGV-KKUMJFAQSA-N 465.366 1.201 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B(O)O 2256621950 AQKCGNLDDLDITC-GOSISDBHSA-N 461.393 1.412 50 10 JDGE CCn1cc(B(O)O)cc1C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2281743554 JYMHRJYNEXXTMN-UHFFFAOYSA-N 482.387 1.116 50 10 JDGE COC(=O)c1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623628 FZEPPCFVIAPLPU-QGZVFWFLSA-N 454.508 1.157 50 10 JDGE Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 728322635 LDGLIBMHNOXOCV-QGZVFWFLSA-N 455.398 1.933 50 10 JDGE CC(=NNC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(OCC(=O)N2CCOCC2)cc1 915906864 DIRPDWMVQFQHCT-UHFFFAOYSA-N 463.498 1.118 50 10 JDGE COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](Br)[C@@H](OC)N1C(=O)OC(C)(C)C 1531865485 OQEGSELLFXSYFT-PWNZVWSESA-N 465.341 1.522 50 10 JDGE OB(O)c1ccc(OC(F)(F)F)c(I)c1I 2060034675 RORHMWSREJNNBP-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(B(O)O)cc1 2268603827 VGPPZDVCHRFNRO-GOSISDBHSA-N 455.364 1.571 50 10 JDGE O=C(N[C@@H]1COCC[C@H]1NS(=O)(=O)CI)OCc1ccccc1 1881750124 PWUJHWLMVVHYAT-CHWSQXEVSA-N 454.286 1.382 50 10 JDGE Cc1cnc(O[C@]2(CN(C)C(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1B(O)O 2231639743 SYQDLOBKOVHTOG-DEOSSOPVSA-N 455.364 1.960 50 10 JDGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 2243918992 NXELOTINYPACQM-UHFFFAOYSA-N 465.340 1.756 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B(O)O 2268635204 OQVFHLDTZRTEGB-UWJYYQICSA-N 456.348 1.823 50 10 JDGE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NNC(=O)[C@H]3Cc4ccccc4O3)cc21 748215802 WEPWKXCBXVMYPJ-QGZVFWFLSA-N 480.340 1.671 50 10 JDGE Cc1oc(Cn2c(C)nc(I)c2I)cc1C(=O)NN 2088987270 HUOSGXULZOKIBZ-UHFFFAOYSA-N 486.051 1.954 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(B(O)O)cc2)C1 2266980110 TWWZQDBIBBBUQQ-NRFANRHFSA-N 453.348 1.218 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268653312 ZRCBBJZJGCSDDE-GOSISDBHSA-N 475.420 1.720 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cc(F)ccc1B(O)O 2282243253 XYBPMSZAPXPEFR-UHFFFAOYSA-N 483.346 1.434 50 10 JDGE Cc1ccc(B(O)O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2282740229 WJGQIPHQIPHONL-UHFFFAOYSA-N 499.395 1.068 50 10 JDGE CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 38599492 PXMZUZLKVZKKHK-RLFYNMQTSA-N 494.705 1.198 50 10 JDGE in-vitro O=C(NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40658679 GRVCCYGZQMLVDN-UHFFFAOYSA-N 466.842 1.447 50 10 JDGE CC(=O)c1cccc(OCC(=O)NNC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1 1465796081 ZERSFKSYJFAHIX-UHFFFAOYSA-N 458.946 1.887 50 10 JDGE C/C(=C/CO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H]2[C@]1(C)CCC[C@@]2(C)CO 1615257434 IQHRODLFQNPIDT-HTFPWJFGSA-N 468.587 1.234 50 10 JDGE O=C(N[C@@H]1COCC[C@@H]1Nc1ncc(Br)cc1B(O)O)OCc1ccccc1 2223665428 AZVBRJBOBDZSKP-JKSUJKDBSA-N 450.098 1.020 50 10 JDGE CCn1cc(B(O)O)cc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2255512648 CXTUDAKNGVLPDY-UHFFFAOYSA-N 477.326 1.778 50 10 JDGE Cc1sc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)cc1B(O)O 2255788297 NAAVSHGIXWDHEE-UHFFFAOYSA-N 469.369 1.581 50 10 JDGE COc1ccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(B(O)O)c1 2284055828 ZWXOOSKACOGCJU-DEOSSOPVSA-N 469.347 1.483 50 10 JDGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NC[C@@H]3CCCO3)cc2)cc1 725422841 BOMLEMYMZPMAMK-FQEVSTJZSA-N 454.483 1.458 50 10 JDGE C#CCCCC(=O)NNC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1646461649 IPGKDNUSSRQGNQ-INIZCTEOSA-N 457.556 1.496 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCC(Br)CC2)[C@H](S(C)(=O)=O)C1 1877658148 GRRQOJSWVDFCGB-QWHCGFSZSA-N 454.387 1.588 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)CCNC(=O)C=Cc3ccccc3)C2)cc1 2040445083 ZGDNFJOTZBUDLM-NRFANRHFSA-N 498.605 1.763 50 10 JDGE COc1cc(CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2251316708 DCXBKZGWNCIIMJ-UHFFFAOYSA-N 460.295 1.530 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2267392014 UTTAQKKEAKTNCQ-UHFFFAOYSA-N 486.424 1.486 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ccc(B(O)O)cc2Cl)C1 2267728693 YQBONBHXXDIFFV-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE Cc1cc(B(O)O)c(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)s1 2272033597 MCYAYDQKROFXCZ-UHFFFAOYSA-N 483.396 1.323 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(N3CCC(C)CC3)nc12 2296545503 WISICRYVALTLSE-GOSISDBHSA-N 469.567 1.450 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H](Br)[C@@H]2COC[C@@H]21 2308993222 HNAHLDWOINPGSN-JTOWHCCKSA-N 475.336 1.435 50 10 JDGE COc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 1860770755 WAAFPJUVLQMHDQ-GFCCVEGCSA-N 492.579 1.610 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCOC[C@@H]1CBr 2017829796 JQHVITYCAJWOAN-BBRMVZONSA-N 459.362 1.782 50 10 JDGE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)c1nscc1B(O)O 2243662606 BSEPJGAPMJIJDY-KBPBESRZSA-N 465.340 1.927 50 10 JDGE COc1ccc(B(O)O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c1 2281709667 JFEITBAYDSDVKG-UHFFFAOYSA-N 479.339 1.220 50 10 JDGE O=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc(B(O)O)cc2Cl)C1)OCc1ccccc1 2296040965 ODPHSBXQSDXPCQ-MRXNPFEDSA-N 452.725 1.099 50 10 JDGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 217234489 HHROEEOGQZYQGB-HVCHUGMYSA-N 455.924 1.645 50 10 JDGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1860770460 JBLNWAQCANHKEV-UHFFFAOYSA-N 462.553 1.664 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](CBr)OCC12CC2 2012212847 UZLVJWDRDAXZBB-CYBMUJFWSA-N 457.346 1.631 50 10 JDGE CN1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H](CCBr)C1 2023934557 LHBZFMMLNANPQP-CQSZACIVSA-N 458.378 1.404 50 10 JDGE COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)N(CCN2CCOCC2)C(=O)C(C#N)=C1C 2296535522 QCVGTBHMVXHRGF-UHFFFAOYSA-N 484.509 1.327 50 10 JDGE CN1C[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](Br)C1 2316819533 ZRIQHGVSCDDGCH-SJORKVTESA-N 472.405 1.840 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 14027560 AJYLCZLBPROUDA-WUXMJOGZSA-N 487.534 1.995 50 10 JDGE O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccccc1)NNC(=O)C(F)(F)F 20831576 RTUHUONRJQBMHM-UHFFFAOYSA-N 476.444 1.862 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCCCCI 703970430 QAGJOKFPRKQQMO-UHFFFAOYSA-N 450.298 1.807 50 10 JDGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)CN3CCCc4ccccc43)c2)CC1 1676416148 RBLORUXYTKVXHC-UHFFFAOYSA-N 450.543 1.961 50 10 JDGE C[C@@H](C(=O)NNC(=O)c1ccc(CS(C)(=O)=O)cc1)n1cnc2sc3c(c2c1=O)CCCC3 1860772418 YCFZRAHNQVPIKS-ZDUSSCGKSA-N 488.591 1.904 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2256622981 OFDCDGDUNGFUNA-KRWDZBQOSA-N 461.393 1.378 50 10 JDGE O=C(CNC(=O)C1CCCCC1)N/N=C/c1ccc(/C=N/NC(=O)CNC(=O)C2CCCCC2)cc1 13986005 AENNMMNPKRHILG-CMNXJCJSSA-N 496.612 1.980 50 10 JDGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 14660630 OMXWVNJPIGICFZ-UHFFFAOYSA-N 463.512 1.687 50 10 JDGE O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 32605259 VHEUKBKKEBSQDW-UHFFFAOYSA-N 490.925 1.277 50 10 JDGE C=CCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2C1=O 1568932598 GGZFJSIFBIFDRY-OAHLLOKOSA-N 456.499 1.877 50 10 JDGE O=C(NOCCCNC(=O)c1sncc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243414884 JTVJUJUIJKMIDQ-UHFFFAOYSA-N 467.312 1.413 50 10 JDGE Cc1csc(CN(C)C(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2256674337 YWYREEYFXAOEFE-KRWDZBQOSA-N 462.377 1.805 50 10 JDGE CN(Cc1ccc(B(O)O)s1)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2284068762 IHHSCTYGURZKRZ-UHFFFAOYSA-N 487.431 1.946 50 10 JDGE Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c2ccccc21 15092719 SKZQYDSJPSYAKJ-UHFFFAOYSA-N 476.942 1.927 50 10 JDGE O=C(NNC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32605222 ZHGMNOWZOQWNCQ-UHFFFAOYSA-N 454.508 1.778 50 10 JDGE CC(=O)O[C@H](CBr)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CBr)OC(C)=O 95787894 UKPLTNPGLVFJHC-LVEBTZEWSA-N 476.114 1.503 50 10 JDGE CCOc1ccc(/C=N\NC(=O)[C@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cc1OC 169891714 CHZZIIDSSMEUET-MTEVNVADSA-N 455.496 1.849 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Cl)[C@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 256072913 YRXSTYGMBJFQAY-PNKHAZJDSA-N 453.831 1.041 50 10 JDGE C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/NC(N)=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 299873053 GFJQQPYCTIQFPJ-HUTRFWJISA-N 461.559 1.353 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)NCCN2CCO[C@H](C)C2)cc1 725716898 CBDTZURUXGASKJ-MCRQTXEHSA-N 466.542 1.178 50 10 JDGE COc1cc(CC(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3=C(C)C)c([N+](=O)[O-])cc1OC 1088727823 IIOHJLQATICNOJ-QCQDVHPSSA-N 459.455 1.771 50 10 JDGE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106773051 JMQFHTHSBSDOPJ-JQWIXIFHSA-N 450.321 1.870 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@](O)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2136610161 AFATUTFDWSGNQP-INIZCTEOSA-N 456.403 1.442 50 10 JDGE COCCN(/C=C(/C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 217237351 KKEMLGIRHOFTNY-HQSFBDMMSA-N 450.536 1.017 50 10 JDGE COC(=O)C1=c2sc(=Cc3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1OC 252666661 CDYNTXSYJYQWBQ-HXUWFJFHSA-N 475.526 1.528 50 10 JDGE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 1312819788 FPZJPQYWGBDYPG-RCCFBDPRSA-N 451.568 1.611 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)C[C@H]1CCCO1 1926747183 WVLWXZMHRUOSDJ-UONOGXRCSA-N 459.362 1.925 50 10 JDGE Cc1cc(B(O)O)ccc1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2267240138 BVCSUWHREUEEDZ-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268713092 VMDFPQZPXOQLCP-GOSISDBHSA-N 458.320 1.814 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(F)cc2B(O)O)CCN(Cc2ccccc2)C1 2268713390 XACFFSJERNLDPV-QHCPKHFHSA-N 457.311 1.613 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 2324868575 HBCOOOLSKLZRMJ-UHFFFAOYSA-N 468.535 1.754 50 10 JDGE COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(C)cc1 9333400 DZBHAVYKLIFHET-UHFFFAOYSA-N 483.930 1.330 50 10 JDGE CCOc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 12572560 TYEZFTGVXYGNKR-UHFFFAOYSA-N 489.510 1.813 50 10 JDGE Cc1ccccc1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1ccccc1C 100049330 VQTPNTNTDNRUOA-UHFFFAOYSA-N 456.499 1.226 50 10 JDGE COCc1cc(C)n(CC(=O)NN=Cc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(=O)c1C#N 254291146 IZQPPUSZVNLTGS-UHFFFAOYSA-N 468.470 1.070 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(Cl)c(B(O)O)c1 704306059 NFRZXNUWOCDASY-UHFFFAOYSA-N 450.709 1.084 50 10 JDGE C=CCNC(=S)NNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1540445159 UGUORAJORRUPHY-INIZCTEOSA-N 454.618 1.199 50 10 JDGE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)CI)CC1 1884473748 HRBHSEDZQNYHNZ-UHFFFAOYSA-N 452.336 1.864 50 10 JDGE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)N2CCC(Br)CC2)s[nH]1 2229905019 HTDDBECNHDDTDL-UHFFFAOYSA-N 470.415 1.543 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2sc(B(O)O)cc2C1 2268706308 KAIWACBAXITUBO-GOSISDBHSA-N 474.388 1.813 50 10 JDGE Cc1ccc(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278701243 SXOGLEDCUSOQFZ-FQEVSTJZSA-N 456.348 1.791 50 10 JDGE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1 20899457 NIIWWBRGSCXOQB-INIZCTEOSA-N 472.350 1.988 50 10 JDGE CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CSSC[C@@H](N)C(=O)O)C(=O)O)cccc12 31393184 USWIMCHOXDPGKC-KGLIPLIRSA-N 473.598 1.431 50 10 JDGE Cn1nnc(Br)c1S(=O)(=O)NCCCCCCI 236089554 JBSJVVRRZGJNRY-UHFFFAOYSA-N 451.128 1.851 50 10 JDGE COc1cc(C(C)=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O 254698712 WVTGQVWYFSCIQK-UHFFFAOYSA-N 460.556 1.556 50 10 JDGE CCOC(=O)C(=NO)C(C)=NNC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 263629024 PEEAFECHOOWZRO-UHFFFAOYSA-N 452.489 1.628 50 10 JDGE CC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(Br)c1 1629048264 GGUYOVXAEIWYJX-MRXNPFEDSA-N 458.276 1.063 50 10 JDGE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2044691740 SJNGZANPYIHOIP-DEOSSOPVSA-N 460.416 1.808 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCO[C@]2(CBr)C1 2231364956 ZQSHMVATOBWWHT-ZNZDAUKMSA-N 489.363 1.826 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B(O)O)ccc1Cl 2256681661 OLXJOINMCPCIGY-GUYCJALGSA-N 463.727 1.852 50 10 JDGE C=CCC(C)(C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 1463951687 OMZJEFHNVPGEIO-UHFFFAOYSA-N 452.515 1.178 50 10 JDGE Cc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Br)cc1I 2224629879 RAEQYORAGQOADV-ONGXEEELSA-N 458.115 1.890 50 10 JDGE C[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268633873 VGWUAZOGVPLZCV-UWJYYQICSA-N 455.364 1.569 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2nc(B(O)O)ccc2Cl)CCN(Cc2ccccc2)CC1 2283953857 YHULCGTUVGQZBL-UHFFFAOYSA-N 488.781 1.913 50 10 JDGE CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CC)cc(Br)c1O 3637692 IMYJKEJSRGZLBM-FBCYGCLPSA-N 465.268 1.426 50 10 JDGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 13630195 DQLMMIROIBMVPU-VFADXPBXSA-N 472.523 1.381 50 10 JDGE Cc1cccc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2cccc(C)c2)c1 100049338 MXOZAAHVXXDWQH-UHFFFAOYSA-N 456.499 1.226 50 10 JDGE CCCN(CCC)Cc1c(C(=O)NN=Cc2cccc(OC)c2OC)nnn1-c1nonc1N 254736398 JKLBITFHZRDCJP-UHFFFAOYSA-N 471.522 1.636 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])c1-c1ccc2c(c1)OCO2 254795010 LNZHWIRXMQPZEK-UHFFFAOYSA-N 463.370 1.300 50 10 JDGE NNC(=O)c1cccc(OCCn2cnc(I)c2I)c1 312325559 HZVFUFJVWCDCQC-UHFFFAOYSA-N 498.062 1.775 50 10 JDGE Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1I 728018102 FSVHHHJKDRJEBS-UHFFFAOYSA-N 493.710 1.975 50 10 JDGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)cc1 1674110378 YYVCXVIBEYUZFZ-ZOCIIQOWSA-N 454.487 1.667 50 10 JDGE COc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1[N+](=O)[O-] 1860769881 KGAZAIKCZAPGIR-LLVKDONJSA-N 471.495 1.961 50 10 JDGE C[C@H](Br)CN1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2113856886 RJCONCKOQQXRCK-IFXJQAMLSA-N 490.395 1.742 50 10 JDGE Cc1cc(F)c(B(O)O)cc1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2285944819 ZDSFECKEHFTYDW-UHFFFAOYSA-N 472.322 1.438 50 10 JDGE Nn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989554 YHMJCJHWVUVILA-UFWORHAWSA-N 458.416 1.423 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCCOCCBr 2000544831 QAUVGBBNFDIWNC-QGZVFWFLSA-N 465.341 1.732 50 10 JDGE O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)[C@@H](Br)C1 2177846656 KAWYNQIEOPJRPH-WPRPVWTQSA-N 467.588 1.941 50 10 JDGE Cc1cc(B(O)O)c(F)c(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c1 2282451629 RHYNWCFTDADKHE-UHFFFAOYSA-N 481.330 1.659 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3cccnc3)c2N)cc1 40759495 UDBNTTHNERUAHC-UHFFFAOYSA-N 456.532 1.985 50 10 JDGE O=C(OC[C@@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](Br)[C@H]1O)c1ccccc1 104752221 LMIWARFCLUPCMT-OPDFLTKYSA-N 490.104 1.178 50 10 JDGE biogenic CC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(C)cc1 254509997 SCSFXZLVZRKLCY-UHFFFAOYSA-N 453.492 1.116 50 10 JDGE Cc1ccc(S(=O)(=O)N=c2o[nH][n+](C(C)C)c2C2C(C#N)=C(N)SC(N)=C2C#N)cc1 585657544 GQONWVWPAPEVJX-UHFFFAOYSA-N 458.549 1.292 50 10 JDGE CCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1OCC 798149383 ZQFDFNAOMQWUIH-UHFFFAOYSA-N 474.539 1.715 50 10 JDGE COc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCc3cccnc3)cc2)cc1 1084319413 JRVBMVJKCCBAOV-UHFFFAOYSA-N 461.478 1.874 50 10 JDGE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CI 1983327758 PXXQUSKZQZVWMN-SNVBAGLBSA-N 462.306 1.193 50 10 JDGE CN(C)C[C@H]1C[C@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2058548132 KDFQFBLVXLGNJW-LSDHHAIUSA-N 472.405 1.792 50 10 JDGE N#CC(=Cc1ccccc1)C(=O)NCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 2085367171 QIKSYGNNIYMULJ-QUCCMNQESA-N 452.536 1.321 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@H]21 2128868236 KCYBQOGKUZXPDA-GABDYKALSA-N 489.363 1.967 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@@H](CCl)O[C@H]2C1 2279903932 NNRDCWQQFIBLJX-OYWVLEMYSA-N 460.911 1.048 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@@H]2CCN(S(C)(=O)=O)C2)C1 2244066948 RPMYJMUBVLCHRW-GRYCIOLGSA-N 460.334 1.460 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(Cl)ccc1B(O)O 2267360274 SUKOYWGGGZTOCX-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCc2cnc(B(O)O)s2)C1 2268666523 KIDQYKMSDWVNLV-JOCHJYFZSA-N 475.376 1.283 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1 33726520 IIKMQABIZDZUNE-BXBHGGAKSA-N 478.555 1.471 50 10 JDGE COc1cc(/C=N/NC(=O)CSc2nnc(N)s2)ccc1OCC(=O)N1CCCCC1 40947136 VNIRAJZDQQYTEU-UFFVCSGVSA-N 464.573 1.763 50 10 JDGE O=C(O)COc1c(Br)cc(C=NNC(=O)CN2CCOCC2)cc1Br 1083933235 VVFZKKQXDJPSDV-UHFFFAOYSA-N 479.125 1.457 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C(F)(F)Oc2ccccc2)cc1 1629902634 BPSHMHWRGDPATE-UHFFFAOYSA-N 455.439 1.377 50 10 JDGE CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CB(O)O)C(=O)O 1984692330 MRWQZXYTDRBIBK-VQTJNVASSA-N 454.288 1.592 50 10 JDGE NNC(=O)c1sncc1Cn1cnc(I)c1I 2005390623 DCWTVRVWWUNITN-UHFFFAOYSA-N 475.053 1.201 50 10 JDGE O=C(NC[C@@H]1Cc2ccccc2CN1S(=O)(=O)CI)C(F)(F)F 2007720558 KLNVVJWQZIBPKX-NSHDSACASA-N 462.231 1.814 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C=Cc2ccc(OC)cc2)cc1 2313743405 BJPCQECQANIOOR-UHFFFAOYSA-N 457.508 1.986 50 10 JDGE O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623621 ONXIYCQZJAKVFC-FVNWOWOISA-N 467.507 1.679 50 10 JDGE N#C/C(=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NCc1ccco1 34990371 GYOWEUYAHUVADQ-SAPNQHFASA-N 461.478 1.854 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)c1-c1ccc2c(c1)OCO2 254797614 KQPAXVPWEBBAPI-UHFFFAOYSA-N 463.370 1.300 50 10 JDGE Cc1nc(S(=O)(=O)NC[C@H](Br)CBr)c(Br)n1C 2005150909 LDNMAUUFXCXLOU-ZCFIWIBFSA-N 453.982 1.928 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN2C[C@H](Br)C[C@H]2C1 2108231337 PGWWFPAQFFFLPC-TYILLQQXSA-N 488.379 1.494 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1ccc(Cl)cc1B(O)O 2146002447 JNWISBLJUSGVNY-UHFFFAOYSA-N 450.709 1.228 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCOc1cc(B(O)O)c(Cl)cn1)C(=O)OC(C)(C)C 2252682542 ZXKYAJAPVSTYDG-UHFFFAOYSA-N 459.736 1.555 50 10 JDGE C[C@@H]1CN(C(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@@H](C)O1 2318454639 CSGIQRZTXOZYFQ-HUUCEWRRSA-N 468.963 1.816 50 10 JDGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(=O)OC)cc2)cc1 10455920 LLFHXXORKCAOCF-UHFFFAOYSA-N 473.507 1.755 50 10 JDGE NC(=O)COc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1 33162963 CESJLSFAZCGYHM-VROXFSQNSA-N 493.509 1.153 50 10 JDGE COc1c(OC(C)=O)ccc(C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1[N+](=O)[O-] 254611603 ZKRNSTXXHHWZPL-UHFFFAOYSA-N 458.383 1.138 50 10 JDGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728372072 IMNKCSAHRXMJDW-XHDPSFHLSA-N 464.371 1.720 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1F 1544231915 XHTAYUFVFBTYPV-UHFFFAOYSA-N 458.471 1.962 50 10 JDGE COc1cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(OC)c1OC 1860771335 QVVWQGVOQZRTGR-UHFFFAOYSA-N 472.523 1.824 50 10 JDGE COC(=O)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1873777307 FANCUXLWDIHERT-IRXDYDNUSA-N 465.510 1.603 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268709571 CZXSZTLRAOKBLR-GOSISDBHSA-N 458.320 1.814 50 10 JDGE Cc1csc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)c1B(O)O 2281898889 PJFLVCAJZKQOPQ-UHFFFAOYSA-N 497.423 1.666 50 10 JDGE Cc1cc(B(O)O)ccc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2282140398 UCUUGUVOZOAJGL-OAQYLSRUSA-N 467.375 1.526 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(N)=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2297736564 GFJQQPYCTIQFPJ-YADUNWKASA-N 461.559 1.353 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)c1 254504498 SHNOIWYBJGBVAF-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE CS(=O)(=O)N1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 914847594 ACZMVBLTZAZEBG-CYVLTUHYSA-N 452.540 1.865 50 10 JDGE CC(=O)CCC(C)(C)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1540482138 RZUGONPXNVBDIO-UHFFFAOYSA-N 453.561 1.183 50 10 JDGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cncc(C(=O)N[C@H](C)C(=O)OC)c2)cc1 1866215457 XPNAFFLSYQULJG-ZXMBATIKSA-N 452.467 1.944 50 10 JDGE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1[N+](=O)[O-] 1872962640 VKQPFHUOJVYJOO-HOTGVXAUSA-N 482.497 1.733 50 10 JDGE O=C(N[C@H]1COCC[C@@H]1NS(=O)(=O)CI)OCc1ccccc1 1881750127 PWUJHWLMVVHYAT-STQMWFEESA-N 454.286 1.382 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@H]1O 2116224627 LOSTUPJWKRZKMI-IACUBPJLSA-N 456.403 1.344 50 10 JDGE Cc1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Br)c1I 2121335997 DKBGIPOZZZLRNN-UWVGGRQHSA-N 458.115 1.890 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CCN(c2ncc(Br)cc2B(O)O)CCC1(F)F 2240333804 NXTTYZCOKSZTSV-LBPRGKRZSA-N 450.089 1.653 50 10 JDGE O=C(NCCNS(=O)(=O)c1ccc(B(O)O)cc1F)OCC1c2ccccc2-c2ccccc21 2247942115 OSSQTCMGPNYLSM-UHFFFAOYSA-N 484.314 1.323 50 10 JDGE CC1(C)OCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@H]1CBr 2247966712 AFMIQXDUCBBZEB-HNNXBMFYSA-N 459.362 1.877 50 10 JDGE N#CC1=C(N)n2c(s/c(=C/c3ccccc3[N+](=O)[O-])c2=O)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 1786461 MWOHUPUTVRGPOP-MMWCCMKASA-N 472.442 1.678 50 10 JDGE COc1ccc(-c2nnc(SCC(=O)NNC(=O)/C=C/C(=O)O)n2-c2ccccc2)cc1OC 6162833 KXBGHUOKROTNMR-ZHACJKMWSA-N 483.506 1.832 50 10 JDGE O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NNC(=O)c1cccs1 9362595 OWHRZNARMKBSJJ-UHFFFAOYSA-N 451.526 1.153 50 10 JDGE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)cc1 100787297 KXIAWZPGCZUJJO-WOJGMQOQSA-N 469.475 1.356 50 10 JDGE N#C/C(=C/N1CCN(CCN)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 216494683 OMJZWWMUDIAIRZ-LVWGJNHUSA-N 458.610 1.904 50 10 JDGE O=C(CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 379435630 UJGCCUVYDXTQFX-KKUMJFAQSA-N 478.976 1.010 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268604284 ZUVCTUBRZYELDE-UHFFFAOYSA-N 475.420 1.722 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(F)c(B(O)O)c2)CCN(Cc2ccccc2)C1 2268718131 OUFJTSRWBXZGBR-QHCPKHFHSA-N 457.311 1.613 50 10 JDGE CC(=O)N(C(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(N)cc1 2324187114 VLARQNXPPUGJLX-UHFFFAOYSA-N 467.551 1.871 50 10 JDGE C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 9442319 CPMYAPPOEULCFM-FLXZHSAZSA-N 483.550 1.981 50 10 JDGE O=C(COc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502237 JGLIFIYSDSCQBC-UHFFFAOYSA-N 453.820 1.871 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3ccc(O)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(O)cc1 254840888 PRNGWPHJMXIJDB-LJQANCHMSA-N 461.499 1.312 50 10 JDGE COC(=O)COc1ccc(C=NNC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 725389517 DOJXZYIFNKLNRJ-UHFFFAOYSA-N 457.483 1.455 50 10 JDGE O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Br)c[nH]1 731058176 PYBVXPNENGMLRK-UHFFFAOYSA-N 477.362 1.185 50 10 JDGE C#C[C@@H](CO)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1141496335 PMJJZIMSZVPFJH-AAKUMTKESA-N 456.300 1.205 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NS(=O)(=O)N3CCC(Br)CC3)CO2)C1 2201727823 KDMBTDOCAYUZKJ-RHSMWYFYSA-N 468.414 1.849 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)N(C)C[C@@H]1C[C@H]1Br)NC(=O)OCc1ccccc1 2249450840 PHOOOCLXNUXQQN-RRFJBIMHSA-N 463.350 1.499 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)c(F)c1 2255883195 CAMVONLEEIAWTP-UHFFFAOYSA-N 466.340 1.611 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2OCC[C@@]2(CBr)C1 2278888661 WIYFHHWFILRBLZ-AYOQOUSVSA-N 489.363 1.826 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccccc2OCC(=O)O)nnn1-c1nonc1N)c1ccccc1 254844809 RDCWHGAYFBAZOY-UHFFFAOYSA-N 491.468 1.096 50 10 JDGE CC(=O)N1CCN(C(=O)CCNC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 730783018 BFUQVUXQCMMJBJ-PGMHBOJBSA-N 473.537 1.568 50 10 JDGE COc1ccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1B(O)O 2365286077 FBNADLIEOBASAE-DEOSSOPVSA-N 469.347 1.483 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3cc(OC)ccc3OC)nnn2-c2nonc2N)c1 254578006 UYXQVZOBCRKGNJ-UHFFFAOYSA-N 464.442 1.689 50 10 JDGE COc1ccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)cc1 1084094623 FEYYALNYIFNERB-UHFFFAOYSA-N 491.526 1.356 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1COC[C@@H]1Br 2000540781 QIALQQHUARWIDM-YLVFBTJISA-N 463.325 1.340 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN2C[C@@H](Br)C[C@H]2C1 2108231336 PGWWFPAQFFFLPC-NJSLBKSFSA-N 488.379 1.494 50 10 JDGE COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)CI 2245275136 BISMTWYWTHPPTR-JTQLQIEISA-N 464.322 1.535 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)Nc2cc(B(O)O)ccn2)C1 2268650866 SIRGHNZZZVDVTL-QHCPKHFHSA-N 455.320 1.544 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268702721 XOGCCAYDVRTLBT-NVXWUHKLSA-N 477.392 1.843 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B(O)O)C1 2283966380 WKWFKIJYSNNLKE-QFIPXVFZSA-N 467.375 1.276 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(B(O)O)c(F)c2F)CCN(Cc2ccccc2)C1 2284055118 OJGLVXFAFFOVSP-QHCPKHFHSA-N 475.301 1.753 50 10 JDGE COc1ccc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)c(Br)c1OC 2323160351 CIIDORKHRFIKFW-ZETCQYMHSA-N 458.294 1.693 50 10 JDGE CC(C)(C)OC(=O)N1CC2(CC[C@H](NS(=O)(=O)N3CCC(Br)CC3)CO2)C1 2362253151 HPGQIWLJQWTFOD-AWEZNQCLSA-N 468.414 1.849 50 10 JDGE CC(=O)Nc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1 254531916 RXABTTYIBXBNBW-UHFFFAOYSA-N 480.533 1.719 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc(OC)c1O 254740193 NILSOAWSHMLZJP-UHFFFAOYSA-N 499.532 1.484 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc(OC)c1OC 254799949 MWUNFZGJMCXGAU-UHFFFAOYSA-N 478.469 1.998 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)c2scnc2C)cc1 729453641 OETUHIQWPBUGJB-MRXNPFEDSA-N 450.542 1.659 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H](Br)C1 2000532650 LKGXWKKSBRARDM-SJKOYZFVSA-N 463.325 1.436 50 10 JDGE Cc1nc(I)c(I)n1Cc1cc(C(=O)NN)co1 2028585109 COJXMWQICVZKOZ-UHFFFAOYSA-N 472.024 1.646 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@]2(CN(Cc3ccccc3)CCO2)C1 2179868465 KXMSMNXFZGINCI-SFHVURJKSA-N 455.378 1.970 50 10 JDGE Cc1sc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1B(O)O 2255556762 UWUAVZMSCKZBSS-UHFFFAOYSA-N 471.385 1.228 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B(O)O)C1 2283955676 GKISQBPIBXEINJ-VGSWGCGISA-N 468.359 1.750 50 10 JDGE Cc1scc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1B(O)O 2320447625 FYOKBDMBSDXVLX-UHFFFAOYSA-N 460.361 1.361 50 10 JDGE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)OC3=O)CC1 33356241 MIAWSOKWJAZLDF-UHFFFAOYSA-N 464.883 1.806 50 10 JDGE COc1cc(/C=N/Nc2nc(S[C@H](C)C(=O)NNC(=O)C3CCC3)n[nH]2)cc(OC)c1OC 59883766 PDJQBWGNGFOYCU-OHBSIKEHSA-N 477.547 1.705 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)c2cccc(Cl)n2)cc1 1300836047 FICGBGRIDLZAFX-UHFFFAOYSA-N 452.920 1.800 50 10 JDGE O=C(CNC(=O)c1ccccc1Cl)NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1857965556 VBHFMQGHZTVTLJ-UHFFFAOYSA-N 478.958 1.706 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCC[C@H](OCCBr)C1 2003871790 HCTKWTICKLVOPU-AWEZNQCLSA-N 459.362 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCc2ccc(B(O)O)cc2)C1 2205525495 XLZZFUUVPZDLPE-RUZDIDTESA-N 468.359 1.827 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240336031 GBNGAVKDNAFXAL-JWNZJDHWSA-N 462.175 1.653 50 10 JDGE C[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cscc1B(O)O 2256678786 HDZSMTWSRMIXNK-INIZCTEOSA-N 461.393 1.632 50 10 JDGE O=C(N[C@H]1CC12CC(NS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C2)OCc1ccccc1 2282372914 FUFARGOLQWKPKA-FHBSJOOWSA-N 470.765 1.207 50 10 JDGE Cc1ccc(B(O)O)c(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1 2287639667 NIMSBYKNTQAMEG-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE COc1ccc(NC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2339739100 NLCIKHQBWSXLCD-GOSISDBHSA-N 458.320 1.814 50 10 JDGE O=C(CCl)NN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(NC(=O)CCl)C4=O)cc2C1=O 105507999 MTIJDOGQKGVKBY-UHFFFAOYSA-N 491.243 1.211 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)Nc3ccccc3C)c2)CC1 1139312874 SKPWPJHFIYPNQS-UHFFFAOYSA-N 459.528 1.314 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)s1 1556738693 PPWPRONWELSECA-UHFFFAOYSA-N 458.587 1.149 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@]1(CBr)CCOC1 2000539370 KRSJBTAUGPHUOF-DLBZAZTESA-N 463.325 1.484 50 10 JDGE CC[C@@H](C)[C@@H](CI)NS(=O)(=O)c1c(Br)nnn1C 2081253915 QUPRTRSLEJEXHG-RNFRBKRXSA-N 451.128 1.706 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNS(=O)(=O)N2CCC(Br)CC2)C1 2237819808 HPMVWSDEPDIEKL-CXAGYDPISA-N 468.414 1.706 50 10 JDGE Cc1cc(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2273792819 SWTTXSLIJPECKR-FQEVSTJZSA-N 456.348 1.791 50 10 JDGE COc1ccc(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2365288006 HVZVGLHGCDTUOK-SFHVURJKSA-N 472.303 1.340 50 10 JDGE Cc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)[C@@H](C)Cl)CC3)n2)CC1 35926428 UEHPKNYRHOUXQK-GOSISDBHSA-N 458.994 1.676 50 10 JDGE Cn1nc(SCC(=O)NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)n(C)c1=O 918710726 AHDGAXRYPJVOIC-UHFFFAOYSA-N 484.485 1.864 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccs1)C=2C(=O)Nc1ccc(C)c(C)c1 1080323687 KFNUHLYTJQBZFF-IBGZPJMESA-N 492.582 1.779 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNc2cc(Cl)nc3c2c(C)nn3C)c1 1455033050 MOFAQILEFVNSRS-UHFFFAOYSA-N 450.908 1.554 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=S)N[C@@H](C)C3CC3)CC2)cc1 1640426759 VFVBTTYKSGPQAM-ZDUSSCGKSA-N 452.602 1.584 50 10 JDGE Cn1nc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)c1Cl 2255733667 OUDMXASGKVDCAG-UHFFFAOYSA-N 498.732 1.344 50 10 JDGE O=C(N[C@H]1CC[C@@H]1NS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl)OCc1ccccc1 2282366867 UUVLNAUHSRTRQH-HOTGVXAUSA-N 473.143 1.409 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2cc(B(O)O)ccc21 2283986907 TYVRLDUQBLMJOP-NRFANRHFSA-N 467.375 1.671 50 10 JDGE O=C(NNc1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 40623199 KEFRINDRKSQKHN-UHFFFAOYSA-N 480.869 1.838 50 10 JDGE COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1O 58990116 LWTLIRJKWKGIOZ-DNTJNYDQSA-N 488.442 1.432 50 10 JDGE NNC(=O)c1cc(Cn2cnc(I)c2I)cs1 701749603 CIVUNQSDRZBWAI-UHFFFAOYSA-N 474.065 1.806 50 10 JDGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCc2cccnc2)cc1)NCCc1ccccc1 1083994923 URBDSJNQDURQGU-UHFFFAOYSA-N 473.533 1.976 50 10 JDGE O=S(=O)(Cc1ccsc1B(O)O)NCCCN(Cc1ccccc1)Cc1ccccc1 2247881699 CPEFKQYIADLLLZ-UHFFFAOYSA-N 458.414 1.940 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)N2Cc3cccc(B(O)O)c3C2)CCN(Cc2ccccc2)C1 2284058572 NWIYHBADSLHFDT-RUZDIDTESA-N 465.359 1.378 50 10 JDGE CC(=O)OC[C@H]1O[C@@H](Cl)[C@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 106385699 YRXSTYGMBJFQAY-HSFUPAIVSA-N 453.831 1.041 50 10 JDGE COc1ccc(OC)c(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)c1 254812691 SLYUWMVSURWUSW-UHFFFAOYSA-N 477.485 1.650 50 10 JDGE C=C(C)C(C)(C)C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1472478804 STBBHMSQVHTBET-MRXNPFEDSA-N 453.561 1.702 50 10 JDGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](NS(=O)(=O)CI)CO2 1983326466 AGIYNCAGHDXIBK-NSHDSACASA-N 460.334 1.857 50 10 JDGE O=S(=O)(NC[C@@]12CN(Cc3ccccc3)C[C@@H]1CCO2)N1CCC(Br)CC1 2175203933 WUBUYWRAUNKPRG-PKOBYXMFSA-N 458.422 1.971 50 10 JDGE Cc1ccnc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c1B(O)O 2255575077 KWWLIXYYXULMQH-UHFFFAOYSA-N 475.310 1.660 50 10 JDGE CCOc1cc(C=NNC(=O)CCNc2nnc(O)nc2O)cc(Br)c1OC 2323188779 OBPFJQKVIFJJDN-UHFFFAOYSA-N 455.269 1.405 50 10 JDGE CCOC(=O)C1CCN(C(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 2324567737 UPNFPMYBRZZQDH-UHFFFAOYSA-N 474.583 1.511 50 10 JDGE CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1 3633210 YHOJEDMEPQJUIJ-FSJBWODESA-N 453.507 1.627 50 10 JDGE Cc1cc(C(=O)Oc2ccc(C=NNC(=O)c3c(C)nnn3-c3nonc3N)cc2)ccc1[N+](=O)[O-] 254382105 VYIBTPISZCEZNN-UHFFFAOYSA-N 491.424 1.741 50 10 JDGE C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]n2)cc1 1295892267 IAPKNOQZRPZNNW-UHFFFAOYSA-N 451.508 1.680 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2B(O)O)C[C@H]1CC(F)F 2240343683 VVDFKBQDWQKSJW-LLVKDONJSA-N 450.089 1.605 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCCc2cccc(B(O)O)c21 2268718460 RDUCXSOQERTUBL-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE COc1ccc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2296192971 RPJUFIHAIDSGMS-FQEVSTJZSA-N 471.363 1.017 50 10 JDGE CCOc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 2313892779 UILKVBNHYSGVOW-MRXNPFEDSA-N 456.524 1.762 50 10 JDGE CCOC1=C/C(=C/NNC(=O)Cn2nnc(-c3ccccc3)n2)C=C(I)C1=O 33907536 HHYXYORNNIKHGW-ZRDIBKRKSA-N 492.277 1.667 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NN=c2cc[nH]c3cccnc23)cc1 1471767873 ARKGICDYQMVNFC-FQEVSTJZSA-N 453.524 1.941 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)c1nnc(O)c2ccccc12)c1cccc(Br)c1 1540601916 VFWSCTOGBDFSPM-HNNXBMFYSA-N 458.272 1.736 50 10 JDGE CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 1614560509 CWYPDAZEDPMGAX-HXUWFJFHSA-N 458.515 1.885 50 10 JDGE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 1624128264 VGEHGXHFCNAZDG-KRWDZBQOSA-N 456.362 1.777 50 10 JDGE CCN1C(=O)C(=NNC(=O)CC(=O)NN=C2C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 1772719970 ALMSSBUITPHPOF-UHFFFAOYSA-N 474.521 1.767 50 10 JDGE Cc1c(C(=O)NN2CCN(C)CC2)oc2c1C(=NNC(=O)c1ccc([N+](=O)[O-])cc1)CCC2 1772745104 QZZBIBNSHYYAPK-UHFFFAOYSA-N 454.487 1.859 50 10 JDGE COc1ccccc1OCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860769815 IQHFUIKFPAXNAE-CYBMUJFWSA-N 456.524 1.818 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](c2nc(NS(=O)(=O)CI)n[nH]2)C1 1986786189 BYHXWITZKBTKQR-QMMMGPOBSA-N 457.294 1.663 50 10 JDGE Cn1cc(S(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c(CCl)n1 2009740609 GVGCKCJAHUQKIQ-UHFFFAOYSA-N 482.003 1.855 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B(O)O)cc1 2140557945 OTEHOYUFKQQPMU-UWJYYQICSA-N 456.348 1.524 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(B(O)O)c1 2255949082 SPJUEHJXOVONBC-UHFFFAOYSA-N 466.340 1.611 50 10 JDGE C=CCC(C)(C)C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1638083816 QTCILWVMBWNJOY-MRXNPFEDSA-N 453.561 1.702 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@@]2(CCCN(S(=O)(=O)CI)C2)C1 1983331485 WZWQZYSGQSNDAE-AWEZNQCLSA-N 460.334 1.811 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)C2(CCOCC2)C1 2054051256 WCFHYKFSSWIBQE-MRXNPFEDSA-N 471.373 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(B(O)O)c(F)c2)C1 2255755948 XSFUFKRYIZMONF-UHFFFAOYSA-N 464.324 1.316 50 10 JDGE CCN(CC)c1c(/C=N/Nc2nnc(SCC(=O)NNC(C)=O)[nH]2)c(C)nn1-c1ccccc1 253570652 NWWFHCXMDVKFQY-WSDLNYQXSA-N 484.590 1.850 50 10 JDGE CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c2ccccc2c1=O 920745907 DQMABTULYOCJIW-KSFYIVLOSA-N 457.556 1.802 50 10 JDGE O=S1(=O)C[C@H](OCCOCCOCCOCc2ccccc2)[C@@H](I)C1 2220485262 NLUQOBSPWINBIN-IRXDYDNUSA-N 484.352 1.854 50 10 JDGE CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1 3633214 ZOKKOJUPHQSNTJ-FSJBWODESA-N 453.507 1.627 50 10 JDGE CCOC(=O)NN=C(c1ccc(NS(C)(=O)=O)cc1)c1ccc(NS(C)(=O)=O)cc1 1088731726 JLXUSIMLUMODEG-UHFFFAOYSA-N 454.530 1.928 50 10 JDGE C#CCN1CCC[C@@H](NC(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)C1 1638392984 TVRDKOPDKPKKBY-OAQYLSRUSA-N 458.526 1.430 50 10 JDGE O=C(CC[C@H](NC(=O)c1ccc(B(O)O)cc1)C(=O)OCc1ccccc1)OCc1ccccc1 1866099194 MTSZWENSAOXGAH-QHCPKHFHSA-N 475.306 1.732 50 10 JDGE CN(C[C@@H](Br)COCc1ccccc1)S(=O)(=O)C1CCS(=O)(=O)CC1 1916363954 GPEUVGWMHKPRQD-OAHLLOKOSA-N 454.408 1.806 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(B(O)O)cn2)CC1 2223650205 JSXPRXPLPADTKE-UHFFFAOYSA-N 450.345 1.056 50 10 JDGE CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OCCN1CCOCC1 4180770 OIXJSEWHVGOZSI-OAQYLSRUSA-N 469.494 1.460 50 10 JDGE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)cc1 100787302 CEHWFWQPOCBJAP-XDHOZWIPSA-N 483.502 1.746 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/Nc1ccc(O)c(N/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c1 106350465 NAAOKYNGKGHOCA-ODPUSEOTSA-N 472.461 1.661 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3ccc(NC(C)=O)cc3)nnn2-c2nonc2N)c1 254292785 UKDYFOVMGZAFGI-UHFFFAOYSA-N 461.442 1.630 50 10 JDGE C#C[C@H](NC(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C1CCOCC1 1479007625 MGFGGPFOSOKSCN-NRFANRHFSA-N 459.506 1.817 50 10 JDGE CO[C@H]1[C@@H](CBr)N(C(=O)c2cnn(C)c2I)C[C@H]1OC 2233351862 CCDWZWIXWFMCHT-BBBLOLIVSA-N 458.094 1.274 50 10 JDGE CN(Cc1csc(B(O)O)c1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256674368 ZENKXONWEFDWQY-GOSISDBHSA-N 462.377 1.887 50 10 JDGE COc1ccc(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2267320307 QZYLWAMTGFPZGT-UHFFFAOYSA-N 456.304 1.568 50 10 JDGE CCN(CC)Cc1c(C(=O)NN=Cc2ccc(Br)s2)nnn1-c1nonc1N 254392329 XOZBQWJKEMKOCQ-UHFFFAOYSA-N 468.341 1.662 50 10 JDGE C=CCN1C(=N/C=C(\C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@@H]21 254877706 OFLMKAIZSDCAEC-AVZPPASCSA-N 490.607 1.526 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCN1CCC(Br)CC1 703957742 IFUMPJSPKWWBNX-UHFFFAOYSA-N 458.378 1.451 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@H]1COC[C@@H]1Br 2002395633 HDSKSYXUSYPLSW-BBRMVZONSA-N 459.362 1.782 50 10 JDGE O=C(CBr)NC1CCC(C(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)CC1 2060423537 AUMQXDLYQIEFGM-UHFFFAOYSA-N 474.352 1.340 50 10 JDGE CO[C@H]1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C1 2115830736 GQDALCGDYOOKAQ-KGLIPLIRSA-N 456.403 1.705 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CBr)C1 2231364953 ZQSHMVATOBWWHT-AGRHKRQWSA-N 489.363 1.826 50 10 JDGE Cc1ccc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(B(O)O)c1 2268711515 MKNRNDJGRIYRHK-DEOSSOPVSA-N 453.348 1.783 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)NCCc1c(F)cccc1B(O)O)Cc1ccccc1 2289646558 POUUWOICKUSRSF-UHFFFAOYSA-N 473.354 1.191 50 10 JDGE C=CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(Br)ccc2O)c1 1650847758 JJIDHOFRPKRXCM-UHFFFAOYSA-N 454.302 1.694 50 10 JDGE C=CCN(CC=C)[C@H](CNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)C(C)C 1665695095 DYQZTXGULNARFH-QGZVFWFLSA-N 450.609 1.931 50 10 JDGE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CI)C1 2007717659 FHDHXYULKGIJDS-LLVKDONJSA-N 475.349 1.062 50 10 JDGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@H]2OCC[C@@H]21 2162594899 SFGWSIVCZMUATF-SOUVJXGZSA-N 468.414 1.847 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(F)cc2B(O)O)C1 2282170126 RRFRNWGWVDLVEU-LJQANCHMSA-N 471.338 1.357 50 10 JDGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2OC)c1[N+](=O)[O-] 40658489 SKBIPYZSRJVNNG-UHFFFAOYSA-N 453.415 1.916 50 10 JDGE C#CC[C@]1(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CCCN1C(=O)OC(C)(C)C 1624039166 VKCHNVIAFFROPO-HSZRJFAPSA-N 453.499 1.488 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2046024654 CBFSTBRTKKUDSK-DAYGRLMNSA-N 476.368 1.350 50 10 JDGE O=S1(=O)C[C@H](I)[C@H](OCCOCCOCCOCc2ccccc2)C1 2220485260 NLUQOBSPWINBIN-DLBZAZTESA-N 484.352 1.854 50 10 JDGE N#C/C(=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 58995156 SLWJPCYTFZQTFW-RGEXLXHISA-N 456.506 1.620 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c(C)nn(C)c1C 59260953 KLJDLZUSYIZSLL-SSDVNMTOSA-N 464.559 1.850 50 10 JDGE O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cccn1-c1cccc(I)c1 109424263 VLOZJZPHAQRUGO-GFCCVEGCSA-N 487.319 1.668 50 10 JDGE COC[C@@H](Br)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978676024 HZENTLJTFRYTJU-ZBEGNZNMSA-N 451.314 1.340 50 10 JDGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CN(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1OC 2325045372 HEZFBCVOJKGOHH-VQIMIIECSA-N 464.588 1.339 50 10 JDGE CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[S@@](=O)CC(=O)NNC(C)=O 586297072 LIFQDJQCYXUEJK-SSEXGKCCSA-N 451.526 1.446 50 10 JDGE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1227480591 VTRZOYLZXWTMJX-PKOBYXMFSA-N 450.561 1.786 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256672679 LLZQDHYLUQGAFM-KRWDZBQOSA-N 462.377 1.805 50 10 JDGE Cc1cc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)sc1B(O)O 2268635751 VGNREKCCKVPENW-QHCPKHFHSA-N 473.404 1.522 50 10 JDGE COc1cc(CNC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2273773077 OOULVQBSQKMRGW-LJQANCHMSA-N 458.320 1.101 50 10 JDGE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NNC(=O)c3cccc4cccnc34)CC2)C1 731222079 LUIJLSLPJNNKPD-MJGOQNOKSA-N 452.559 1.902 50 10 JDGE CCOC(=O)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC(C)C)cc2)cc1 1084004911 KWOPZXKBKRTVDF-UHFFFAOYSA-N 454.483 1.856 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@H]1Br 2025827597 XSQBXFXGFFLHBT-CABCVRRESA-N 457.346 1.677 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(S(=O)(=O)CI)C2)[C@@H]1CO 2212445377 AEQFCDFXVUTIKK-FIQHERPVSA-N 460.334 1.162 50 10 JDGE Cc1nc(I)c(I)n1CC1(C(=O)NN)CCC1 2216487634 NSADEPPFORNWOF-UHFFFAOYSA-N 460.057 1.561 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)s1 2256626739 NMHOWXVVPLCOEU-KXBFYZLASA-N 462.377 1.851 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(F)cc1B(O)O 2268651518 OSDQXQZUYYADNL-SFHVURJKSA-N 460.267 1.471 50 10 JDGE C[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cccc(B(O)O)c1 2284058245 JWGSPZUHNNPMNJ-IQGLISFBSA-N 467.375 1.713 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1cc(F)c(B(O)O)c(F)c1)Cc1ccccc1 2341207500 VBPJHZMNEMGPFQ-UHFFFAOYSA-N 463.290 1.610 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)COc3ccccc3)c2[N+](=O)[O-])cc1 40658860 YJHKYUOPFDIFRA-UHFFFAOYSA-N 453.415 1.672 50 10 JDGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])CC1 40659268 MAIAJFOVPXSRGN-UHFFFAOYSA-N 474.434 1.257 50 10 JDGE C#CCCCC(=O)NNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1635718534 KXFOHEUCCWOJBR-RDJZCZTQSA-N 455.374 1.993 50 10 JDGE CN1C[C@H](Br)[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 1942693113 MDSQGNJEZDQCBW-JKSUJKDBSA-N 458.378 1.450 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCn2c(CCl)nnc2C1 2171792756 SCOCXTOVOMITCF-UHFFFAOYSA-N 451.936 1.485 50 10 JDGE CN(CCCS(C)(=O)=O)S(=O)(=O)c1cc(CBr)oc1Br 2179791459 RIZWWLUVUZSBGA-UHFFFAOYSA-N 453.174 1.992 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)N(C)C[C@H]1C[C@H]1Br)NC(=O)OCc1ccccc1 2249433674 PHOOOCLXNUXQQN-KFWWJZLASA-N 463.350 1.499 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccc(F)c(F)c1B(O)O)Cc1ccccc1 2268603760 UIBYMMVZCNYYDK-UHFFFAOYSA-N 463.290 1.610 50 10 JDGE Cc1cc(CNC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2289488923 INITVYFKNDOIQG-FQEVSTJZSA-N 470.331 1.318 50 10 JDGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(C(=O)OC)c2)cc1 10294265 FGLPYVGVQBDNCA-UHFFFAOYSA-N 473.507 1.755 50 10 JDGE COC(=O)C1=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H](c2ccccc2F)C(C#N)=C1N 98064119 DLCSGALGAZAADG-PLMLNFJUSA-N 451.454 1.680 50 10 JDGE C=CCNC(=S)NNC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1463674824 WEPQCMCDWKYAFR-VLIAUNLRSA-N 454.552 1.956 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1872962155 QMMWHJMPVVOPRO-CVEARBPZSA-N 451.483 1.545 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)CI)C1 1884473196 CVKNASLYPBMXGJ-LXGOIASLSA-N 452.336 1.816 50 10 JDGE C[C@]1(NS(=O)(=O)c2c(Cl)cccc2B(O)O)CCN(C(=O)OCc2ccccc2)C1 2282356239 RSCQOGCULSNGBU-IBGZPJMESA-N 452.725 1.099 50 10 JDGE COc1cccc(/C=N/NC(=O)c2c(-c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)c1OC 27500466 CPAIWZXDMIYZBO-LSHDLFTRSA-N 479.413 1.589 50 10 JDGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-] 40613492 RSACQMYLHROMTJ-UHFFFAOYSA-N 486.316 1.328 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccccc3[N+](=O)[O-])c2[N+](=O)[O-])cc1 40658036 GBAOZTSNYODCCC-UHFFFAOYSA-N 468.386 1.815 50 10 JDGE O=C(OC[C@@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@@H](Br)[C@@H]1O)c1ccccc1 169300706 LMIWARFCLUPCMT-FMSGJZPZSA-N 490.104 1.178 50 10 JDGE biogenic COc1cccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)NN=Cc2ccccc2)c1 606631200 XBXUAEOCRQPNJK-UHFFFAOYSA-N 461.482 1.336 50 10 JDGE Cc1nc(I)c(I)n1C[C@@H]1CCC[C@H](C(=O)NN)O1 1879471927 ILZGUOOZMWRRCX-JGVFFNPUSA-N 490.083 1.328 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2132545222 USZOKYFASMTMLI-CFNLKKDLSA-N 489.363 1.682 50 10 JDGE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNc1ncc(Br)cc1B(O)O 2240338616 DOXIZNAHCCSTET-HNNXBMFYSA-N 450.089 1.971 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256675121 OJVSVXWBSRJKPU-RHSMWYFYSA-N 463.365 1.452 50 10 JDGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268603740 UBFIKSDBKDYAEW-KRWDZBQOSA-N 475.420 1.974 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2c(F)cccc2B(O)O)C1 2282227856 KTIVSFIBKMBIBG-GOSISDBHSA-N 471.338 1.357 50 10 JDGE COc1cc(B(O)O)c(C(=O)NCCN(OCc2ccccc2)C(=O)OC(C)(C)C)cc1OC 2282441907 LJQMDCZBKLOMQC-UHFFFAOYSA-N 474.319 1.482 50 10 JDGE Cn1nc(Br)c(Br)c1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1Br 2338687697 BJXCRLRGIMLQEE-UHNVWZDZSA-N 479.976 1.235 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3cnc4ccccc4n3)c2)CC1 1466743780 KVPFYUNFMRZQMD-UHFFFAOYSA-N 454.512 1.240 50 10 JDGE COCCOc1ccc(/C=C(\C#N)C(=O)Nc2cncc(C(=O)N[C@@H](C)C(=O)OC)c2)cc1 1866215456 XPNAFFLSYQULJG-ADFUCPMPSA-N 452.467 1.944 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H](CBr)C1 2000538560 HUEZIDMGKCIVSU-YVEFUNNKSA-N 463.325 1.436 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)N=c1ccc(B(O)O)c(C(F)(F)F)[nH]1 2231640730 GRLCHBKPXHSHCQ-UHFFFAOYSA-N 478.277 1.032 50 10 JDGE Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(B(O)O)c1 2281733145 MDYXBOQBBFOYJH-HXUWFJFHSA-N 467.375 1.526 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 10450662 KSGXSZLICNOVMF-BQYQJAHWSA-N 460.468 1.970 50 10 JDGE O=C(COc1ccccc1Cl)NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12502308 KRQFMTRCMRHATK-UHFFFAOYSA-N 453.820 1.871 50 10 JDGE Cn1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccccc21 16498424 YVCSVDPBERFLKI-UHFFFAOYSA-N 465.535 1.912 50 10 JDGE O=C(Cc1ccccc1)NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 40658042 GAJIXHGEQVZRDR-UHFFFAOYSA-N 452.387 1.736 50 10 JDGE COc1ccc(C(=O)NCC(=O)NN=Cc2ccc(O)c(I)c2)cc1OC 252622333 NSXUGERCTWYVTN-UHFFFAOYSA-N 483.262 1.894 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc4c(c3)OCO4)nnn2-c2nonc2N)cc1 254577307 BEKZTYVJXYUVTQ-UHFFFAOYSA-N 462.426 1.791 50 10 JDGE COc1ccc(C(=O)NNC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)c(OC)c1 731220329 CJGXAMXYUWECNU-SJORKVTESA-N 461.563 1.371 50 10 JDGE O=C(NN=Cc1ccc2ccccc2n1)[C@H](O)[C@@H](O)C(=O)NN=Cc1ccc2ccccc2n1 1084568199 CXBFGFJKXOHMCE-FGZHOGPDSA-N 456.462 1.105 50 10 JDGE COC[C@@H](CCBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000543148 MLWLHTDACSKKTD-PXAZEXFGSA-N 465.341 1.730 50 10 JDGE Cc1nc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)s1 2247749336 RYOYJXSVTLCASS-UHFFFAOYSA-N 481.339 1.722 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)NC[C@H]1C[C@H](Br)C1)NC(=O)OCc1ccccc1 2249459867 LOHBOWLYQLVCLY-KKUMJFAQSA-N 463.350 1.547 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(B(O)O)c2)CCN1C(=O)OC(C)(C)C 2267319100 YMMNOYPUDOHQIH-UHFFFAOYSA-N 467.303 1.351 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B(O)O)cc1F 2269699944 OYLQJJZNCDIIPN-MGPUTAFESA-N 460.311 1.620 50 10 JDGE O=C(NOCCCNC(=O)c1cc(F)c(B(O)O)cc1O)OCC1c2ccccc2-c2ccccc21 2339406266 FFTRFMAYCFZWMY-UHFFFAOYSA-N 494.284 1.801 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCc3scc(B(O)O)c3C2)C1 2361641014 LJCIXBKQWYQEBV-UHFFFAOYSA-N 486.399 1.767 50 10 JDGE COc1ccc(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1B(O)O 2365286078 FBNADLIEOBASAE-XMMPIXPASA-N 469.347 1.483 50 10 JDGE Cc1cc2c(c(=O)n1CCN(C)C)[C@]1(C(=O)N(C[C@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39919022 HAXIKPBTYMNHAI-WGDIFIGCSA-N 475.549 1.616 50 10 JDGE COc1ccc(Br)c(C(=O)NNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)c1 728527951 URDJORXQVGAKDS-UHFFFAOYSA-N 490.307 1.257 50 10 JDGE C[C@H](Br)[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCO1 2053850402 OHHXVBRJQUDEQQ-XLWVJDPXSA-N 477.352 1.825 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2057886462 ZTRBDJSIGIWYMD-XKQJLSEDSA-N 471.373 1.734 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)Cc1ccc(Br)cc1 2226109165 VSISGIAGLXGHDO-SNVBAGLBSA-N 462.103 1.845 50 10 JDGE CO[C@@H]1[C@H](OC)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCl 2233353425 GWOXAMFFXABAPX-KSZLIROESA-N 458.964 1.736 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2ccc(B(O)O)s2)C1 2243415147 PCVLEDXZUDKOSW-UHFFFAOYSA-N 452.363 1.238 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(B(O)O)cc1Cl 2282880240 GGELPHLILUJWHN-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)[C@H](O)c1ccccc1 59158141 OCIMHLJKTHZPES-QJFIYUNTSA-N 468.469 1.883 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc(OC)c1O 263630863 NQQZFAJUNPQSPB-UHFFFAOYSA-N 450.415 1.386 50 10 JDGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCCc2ccccc2)cc1)NC[C@H]1CCCO1 1084382341 CJGBFZVVLROBFV-JOCHJYFZSA-N 466.538 1.560 50 10 JDGE CN(CCOCCN(C)S(=O)(=O)N1CCC(Br)CC1)C(=O)OC(C)(C)C 2106773490 SEDUISLUSNRWOG-UHFFFAOYSA-N 458.419 1.906 50 10 JDGE CN(Cc1csc(B(O)O)c1)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2256640199 SATUTVGDYIHSMO-UHFFFAOYSA-N 461.393 1.413 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B(O)O)cc1F 2269701289 HTAHLBVSNRYTMR-HXUWFJFHSA-N 459.327 1.147 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cc(Cl)ccc2B(O)O)C1 2287637546 CNAQWOCUGVBRCR-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE Cc1cc(B(O)O)ccc1C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2287641350 BZYFJDIXIJMQNJ-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2OC)cc1 14027574 PBZHHAAAPBXZKB-JLHYYAGUSA-N 457.508 1.986 50 10 JDGE O=C(CN1C(=O)C(=NNC(=O)C(=O)NCc2ccccc2)c2ccccc21)Nc1ccccc1 254379754 ISMMVSBMOFKAAS-UHFFFAOYSA-N 455.474 1.809 50 10 JDGE CC(C)C[C@@H](C(=O)N1CCC(C(=O)NNC(=O)c2cccnc2)CC1)N1C(=O)c2ccccc2C1=O 1858002101 HGBHBQRZRVJKKP-NRFANRHFSA-N 491.548 1.792 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCOC[C@@H]1Br 2000532340 IVKSXIPWTNZQLS-ZQIUZPCESA-N 463.325 1.483 50 10 JDGE Cc1ccc(B(O)O)cc1S(=O)(=O)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2255752459 JLOSDSUXBPQTAL-UHFFFAOYSA-N 460.361 1.485 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cccc(B(O)O)c21 2268655654 OHOFPIQQVHMBMM-OXQOHEQNSA-N 454.332 1.754 50 10 JDGE COc1cc(Br)cc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)c1OC 2323157464 KBBQBXKIFBQNJJ-SSDOTTSWSA-N 458.294 1.693 50 10 JDGE CC(=O)N1c2ccc(S(=O)(=O)NNC(=O)c3cc(Br)cn3C)cc2C[C@H]1C 28680848 AECUNKZNUZAKAX-SNVBAGLBSA-N 455.334 1.708 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(N3CCN(c4ccccn4)CC3)c2[N+](=O)[O-])cc1 40658883 GHKCQQSSPLYYJD-UHFFFAOYSA-N 450.459 1.872 50 10 JDGE CCNNC(=O)[C@H]1[C@@H](CO)[C@H](O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 254127896 CPTIBDHUFVHUJK-ZHHJKBAOSA-N 474.510 1.485 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Cl)[C@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1848434163 YRXSTYGMBJFQAY-FLXSYLCISA-N 453.831 1.041 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(F)cc2B(O)O)CCN(Cc2ccccc2)C1 2268713389 XACFFSJERNLDPV-HSZRJFAPSA-N 457.311 1.613 50 10 JDGE CCOc1cccc(-c2c(C(=O)NN=Cc3ccc(OC)c(O)c3)nnn2-c2nonc2N)c1 263629348 WSBOQMALIDZHHB-UHFFFAOYSA-N 464.442 1.776 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(NNC(=O)NCc2cccc(CS(C)(=O)=O)c2)nc1 749191463 HHAVIPJIBILSFP-UHFFFAOYSA-N 469.589 1.483 50 10 JDGE C=C[C@@H](CC)CC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1182182684 HANZYRJCBDZUAM-YOEHRIQHSA-N 453.561 1.702 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@@H]2OCC[C@@H]21 2108232787 AYHNSHGIHZLMTM-DLLGKBFGSA-N 489.363 1.967 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)s1 2256621467 VFQNNUUMYZDCGH-DNVCBOLYSA-N 462.377 1.885 50 10 JDGE Cc1sc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2272032353 YSVYISALMIGTAH-UHFFFAOYSA-N 483.396 1.323 50 10 JDGE OB(O)c1ccnc(OCc2cc(I)ccc2Br)c1F 2367620209 FNZKURPZKVBLJB-UHFFFAOYSA-N 451.826 1.847 50 10 JDGE C#CC1(O)CCN(C(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)CC1 1301220169 XHYSSIKCHQRHFK-LGMDPLHJSA-N 451.914 1.973 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC(F)(F)CBr 1900070398 LDVSNWWEWGHXKJ-AWEZNQCLSA-N 457.268 1.960 50 10 JDGE NNC(=O)C(=O)Nc1cc(Br)c(I)c(Br)c1 1938593855 JPVYHEUNQMTVHD-UHFFFAOYSA-N 462.867 1.745 50 10 JDGE CC(C)(C)OC(=O)NCC1(CO)CCN(S(=O)(=O)N2CCC(Br)CC2)CC1 2202906705 KPVWZWRQDDZDCI-UHFFFAOYSA-N 470.430 1.690 50 10 JDGE C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1)c1nscc1B(O)O 2256621572 WODCNTCOHDXCBW-IYOUNJFTSA-N 463.365 1.499 50 10 JDGE Cc1cc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)sc1B(O)O 2256654868 VTRPTESYFDREHA-UHFFFAOYSA-N 461.393 1.379 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2256677740 ZEOUFJPNGOKIOS-SFHVURJKSA-N 462.377 1.805 50 10 JDGE Cc1cc(CN(C)C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2283946400 NECOWJXHGVRZPS-SFHVURJKSA-N 490.387 1.722 50 10 JDGE C/C(=N/NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 96698182 TUKAOIBXGWSOTC-JLPGSUDCSA-N 479.522 1.952 50 10 JDGE N#C/C(=C/N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N1CCN(Cc2ccccc2)CC1 217257742 MMDIQEAOQPAKJT-LNVKXUELSA-N 479.606 1.745 50 10 JDGE COC(=O)C1=c2sc(=Cc3ccccc3OC)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1OC 252666660 CDYNTXSYJYQWBQ-FQEVSTJZSA-N 475.526 1.528 50 10 JDGE CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@@H]2OCC(=O)NNC(=O)/C=C/c2ccccc2)O1 504051098 RHUOIDQSBWTIEJ-VTVSXCTCSA-N 462.499 1.260 50 10 JDGE O=C(NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)[C@@H](O)c1ccccc1 1084088414 OCIMHLJKTHZPES-QFIPXVFZSA-N 468.469 1.883 50 10 JDGE C=C[C@@](C)(O)C(=O)NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1290209982 ZYWIAAVCQCISRF-HXUWFJFHSA-N 451.932 1.615 50 10 JDGE Cc1nc(-c2cnccn2)sc1C(=O)NNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 1865757839 XCYTYNZFTRSGCV-MRXNPFEDSA-N 464.507 1.990 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)[C@H](Br)C1 1883435078 UGWANQRTQGGXML-TXEJJXNPSA-N 466.151 1.455 50 10 JDGE C[C@@H](Cl)CN1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2176856211 QIJOWNKYVJVMAC-FOIQADDNSA-N 459.971 1.976 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cscc2B(O)O)C1 2255453133 FBHMVIBGSYLLEG-KRWDZBQOSA-N 459.377 1.279 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268643608 YKZSSBBMTNQIPY-MGPUTAFESA-N 458.320 1.812 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 14027506 PUFHAGDUGWUCHD-UHFFFAOYSA-N 491.438 1.394 50 10 JDGE C[C@@H](c1cc(B(O)O)cs1)N(C)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268646836 VMUWMDSTYVMYNP-QFBILLFUSA-N 475.420 1.973 50 10 JDGE COCCN(/C=C(/C#N)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 217173443 WFGBIHSGFJVKRS-SUBPAYRCSA-N 451.545 1.424 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c(OC)c1 254290560 UWUPAAUSEQZYHJ-UHFFFAOYSA-N 483.533 1.778 50 10 JDGE CN(C)S(=O)(=O)CCC(CBr)(CBr)[C@@H]1CCS(=O)(=O)C1 312226905 CNEYPWUYMGVVMO-SNVBAGLBSA-N 455.234 1.479 50 10 JDGE Cc1ccc(N(CC(=O)NN=Cc2ccc(OCC(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1 1084231301 XLSDQIPHQGJJAZ-UHFFFAOYSA-N 488.566 1.149 50 10 JDGE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)n1N 1084337953 ZZFUIDBGRIOMPG-UHFFFAOYSA-N 488.553 1.525 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(C)(C)CNS(=O)(=O)CI)CC1 1990452977 MAINUPZOHIUHDF-UHFFFAOYSA-N 461.366 1.630 50 10 JDGE O=C1OC(=O)[C@H]2CN(S(=O)(=O)c3cc(Br)sc3Br)CC[C@@H]12 225672341 QGBUJBYTBLJNKA-RITPCOANSA-N 459.137 1.983 50 10 JDGE C=CCNC(=S)NNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1540445160 UGUORAJORRUPHY-MRXNPFEDSA-N 454.618 1.199 50 10 JDGE CC(C)(C)OC(=O)N1CCN([C@H](CNS(=O)(=O)CI)C(F)F)CC1 2017405833 MSDMETLPKPYDCI-SNVBAGLBSA-N 483.319 1.485 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(OCCCBr)C1 2085892026 AGXPEZPREROZQV-GOSISDBHSA-N 477.352 1.826 50 10 JDGE O=C(NC[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CC12CCC2)C(F)(F)F 2174054675 WBIIRGZQRYRUSB-NSHDSACASA-N 462.332 1.871 50 10 JDGE O=S(=O)(N1CCC[C@H](CBr)C1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179826613 UXLOJUMCCDDRDH-GUDVDZBRSA-N 458.422 1.923 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2OCCC[C@]2(CBr)C1 2216719701 DIEAEGCEJSVMJI-YJBOKZPZSA-N 457.346 1.488 50 10 JDGE O=S1(=O)C[C@@H](I)[C@H](OCCOCCOCCOCc2ccccc2)C1 2220485261 NLUQOBSPWINBIN-IAGOWNOFSA-N 484.352 1.854 50 10 JDGE O=C(OCc1ccccc1)N1CCC2(CC1)CCN2c1ncc(Br)cc1B(O)O 2231678441 RHNBIJAXQWOYSK-UHFFFAOYSA-N 460.137 1.905 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNS(=O)(=O)c1ccc(CBr)cc1 2233980779 ZTNZJIZPJNZFGV-ILXRZTDVSA-N 465.366 1.201 50 10 JDGE Cc1c(B(O)O)csc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2255768045 MRTGAICEGODZLF-UHFFFAOYSA-N 469.369 1.581 50 10 JDGE Cc1cccc(B(O)O)c1C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2287640388 TXBVYSAJMZCAGR-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)c1-c1ccc([N+](=O)[O-])cc1 252643528 ZVJDZRCGYCIBDM-UHFFFAOYSA-N 464.358 1.480 50 10 JDGE CC(=NNC(=O)CCCC(=O)NN=C(C)c1c(O)cc(C)oc1=O)c1c(O)cc(C)oc1=O 254486441 ALIPMBARSSVFRR-UHFFFAOYSA-N 460.443 1.172 50 10 JDGE CC(=NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)NC(=O)CO2 744683233 BCGKIFIKYPAQQW-UHFFFAOYSA-N 486.550 1.511 50 10 JDGE COc1ccc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867224623 VWGXIAXJEXOALJ-IBGZPJMESA-N 469.567 1.750 50 10 JDGE Cc1sc(C)c(S(=O)(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)c1B(O)O 2282739318 HSHMWFRAQJQXMX-UHFFFAOYSA-N 452.363 1.124 50 10 JDGE COc1ccccc1OCC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 12571682 ZLHGCNBURMJVBV-UHFFFAOYSA-N 468.329 1.937 50 10 JDGE Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1CN1CCOCC1 27497681 NGYXEYBLJALVJZ-ODCIPOBUSA-N 466.289 1.135 50 10 JDGE COC(=O)[C@@H](I)CNC(=O)c1ccc(I)cc1 234591262 VEUNLBRPXFCWKJ-VIFPVBQESA-N 459.021 1.998 50 10 JDGE COCc1cc(C)n(CC(=O)NN=Cc2cc(Br)cc([N+](=O)[O-])c2O)c(=O)c1C#N 254398977 OTJNZQKKOFUVFS-UHFFFAOYSA-N 478.259 1.701 50 10 JDGE CN([C@@H]1COC[C@H]1Br)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 709085197 JCOZOCFFMVOXFH-HUUCEWRRSA-N 459.362 1.733 50 10 JDGE CC(C)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 745146251 DZNKWGSQVUHSDP-UHFFFAOYSA-N 459.572 1.546 50 10 JDGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 1860770823 YNIYTRVZAKCMIR-GFCCVEGCSA-N 476.580 1.910 50 10 JDGE O=C(N(CC(F)F)[C@H]1CCCN(S(=O)(=O)CI)C1)C(F)(F)F 1983333050 DCMNWRNSALZUHQ-ZETCQYMHSA-N 464.194 1.829 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Br)c1Br 2177842120 AIWDNJDAPVKABM-YUMQZZPRSA-N 467.226 1.966 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B(O)O)cc2F)CCN(Cc2ccccc2)CC1 2283953272 RFIYCESGHNVKTB-UHFFFAOYSA-N 472.326 1.399 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)NCc2cc(B(O)O)cs2)CCN(Cc2ccccc2)CC1 2283980645 CHHQFQKDIFNFNJ-UHFFFAOYSA-N 487.431 1.994 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2OC[C@@H](CBr)[C@H]2C1 2310016734 ZTRBDJSIGIWYMD-KBRIMQKVSA-N 471.373 1.734 50 10 JDGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2ccccc2)c1[N+](=O)[O-] 40657274 QXWPBHMSAXOUIF-UHFFFAOYSA-N 452.387 1.736 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1F 1641323124 YQBSGEUPQYTQTF-UHFFFAOYSA-N 457.505 1.196 50 10 JDGE Cn1nnc(Br)c1S(=O)(=O)N1C[C@H](Br)[C@H](Br)C1 2019457922 RIGLUAWZTZEJBC-SYDPRGILSA-N 452.954 1.109 50 10 JDGE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2106297715 HKXSWTLXLKYBRF-MJBXVCDLSA-N 456.403 1.751 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2scc(B(O)O)c2Cl)C1 2255530433 SEUKBDRZKNUQBQ-UHFFFAOYSA-N 480.779 1.706 50 10 JDGE Cc1ccc(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2268719150 ZJKSEOPFZGFFIW-IBGZPJMESA-N 456.304 1.640 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3sc(B(O)O)cc3C2)CCN(Cc2ccccc2)C1 2283956910 MYXSAAWZTHKQJM-XMMPIXPASA-N 485.415 1.482 50 10 JDGE C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc1 10679251 NKNYQQSIJZCWQV-CYBMUJFWSA-N 457.537 1.469 50 10 JDGE O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NNC(=O)c1cccs1 11243342 XIFSVSALDMUOEH-UHFFFAOYSA-N 485.971 1.807 50 10 JDGE Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1N1CCN(CCO)CC1 40734503 JQEMIKSFGOJUPD-UHFFFAOYSA-N 456.334 1.002 50 10 JDGE Cc1cnn(-c2ccc(C(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)c1 728216127 RXHULOPHAPSUEH-UHFFFAOYSA-N 454.556 1.874 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)NCc3ccccc3)CC2)cc1 1296542664 CMSQCTAZBPYTCR-UHFFFAOYSA-N 458.540 1.821 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H]1CBr 2000545815 VLJSULPXHDZQSO-YVEFUNNKSA-N 463.325 1.436 50 10 JDGE O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)N=c1ccc(Cl)c(B(O)O)[nH]1 2243915357 HJBMQDUNZKXTLP-UHFFFAOYSA-N 465.702 1.704 50 10 JDGE Cc1cccc(B(O)O)c1C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2266957662 OKZRFCYUMVJOKM-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE COC(=O)c1ccc(Cl)cc1NC=C1C(=O)N(CCN2CCOCC2)C(=O)C(C#N)=C1C 2296598258 QTRRVNUEBLJOPK-UHFFFAOYSA-N 458.902 1.963 50 10 JDGE COC(=O)[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2303532650 RGRMORVZXKGIRU-AWEZNQCLSA-N 461.334 1.309 50 10 JDGE CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCC(=O)NNC(=O)/C=C/c2ccccc2)O1 36367423 RHUOIDQSBWTIEJ-NWPQKZLVSA-N 462.499 1.260 50 10 JDGE CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)CC1 853447615 IFVFDMBEALKCHG-AFDUHFSSSA-N 474.521 1.993 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2c(O)ccc3ccccc23)n1)NNC(=O)C(F)(F)F 1083953698 PDCFNBGLVJDJRS-UHFFFAOYSA-N 453.406 1.911 50 10 JDGE C=CC(=O)N(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 1618288114 DLIJCIHRWCXBCD-UHFFFAOYSA-N 450.904 1.546 50 10 JDGE N#C/C(=C\c1ccccc1)C(=O)NCCS(=O)(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 1873770620 QIKSYGNNIYMULJ-BIBGJXTNSA-N 452.536 1.321 50 10 JDGE C[P@]1(=O)C[C@H](Br)[C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1983926769 HNXPMIHXCSYYGK-ODZUORAKSA-N 463.290 1.731 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H]1CBr 2000545814 VLJSULPXHDZQSO-SJKOYZFVSA-N 463.325 1.436 50 10 JDGE CN([C@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1cc(Cl)c(B(O)O)s1 2267386212 RLRIBKLPTPFLJV-KGLIPLIRSA-N 458.754 1.159 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2CCc3cc(B(O)O)ccc32)C1 2284137581 PSOJGXUNVGSFFW-UHFFFAOYSA-N 466.343 1.709 50 10 JDGE N#CC1=C(N)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 1762786 HRPMQURERTYCRG-UUVGHFPGSA-N 472.442 1.678 50 10 JDGE CN1CCC(N(C)C(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 216901709 MSLSKCKOHHDVMQ-NXVVXOECSA-N 482.006 1.733 50 10 JDGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)ccc1O 254290322 SHRPWJDILYDFMX-ZDUSSCGKSA-N 469.506 1.475 50 10 JDGE C#CCC(C)(C)C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1182184355 WMODHLCOGJQMSK-MRXNPFEDSA-N 451.545 1.150 50 10 JDGE CC#CCS(=O)(=O)c1cccc(C(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c1 1463598876 WVLZLHRGIAMOIY-UHFFFAOYSA-N 452.492 1.288 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCBr)C1COC1 2000537655 DELDWEXYMFIVFF-QGZVFWFLSA-N 463.325 1.436 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCN(CCBr)CC1 2108243080 IJBBBXFHPKWNFS-LJQANCHMSA-N 490.395 1.743 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H](CCl)[C@H]1OC 2233356569 QBHUKCGYMOWMSZ-BRWVUGGUSA-N 458.964 1.592 50 10 JDGE CN(Cc1ccc(B(O)O)cc1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283951013 RPWZFNJEEQVDGH-RUZDIDTESA-N 467.375 1.494 50 10 JDGE CCOc1cc(C=NNC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OCC(=O)N(C)C 254854592 LGZIBMSIZQBHAS-UHFFFAOYSA-N 451.487 1.356 50 10 JDGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[S@](=O)CC(=O)NNC(C)=O 586298377 QAUQYLRTXJJNCP-PMERELPUSA-N 451.526 1.446 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCOCC2)[C@H]1CBr 2327761391 OWWPPMXHHVVYPH-MRXNPFEDSA-N 471.373 1.878 50 10 JDGE COc1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1B(O)O 2339737320 MBNSGPVCOHQDHV-FOIQADDNSA-N 458.320 1.812 50 10 JDGE CN(C)CCN(/C=C(/C#N)C(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 216883065 GMGLXUFJQUDDEK-NMFWXREBSA-N 458.628 1.926 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 254352020 XIAKOUPYHNKVHK-GFCCVEGCSA-N 468.478 1.669 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3ccc(OC)cc3OC)nnn2-c2nonc2N)c1 254623904 VSFDKRDYBGGMCN-UHFFFAOYSA-N 464.442 1.689 50 10 JDGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 742939153 ATOJKVNHEQVUFI-UHFFFAOYSA-N 455.515 1.233 50 10 JDGE CCN(CC)CCCCN1C[C@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961031 HOZMLBGFXZRXIK-VQTJNVASSA-N 458.607 1.734 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCOC[C@H](Br)C1 1942089332 PVNBWWDSHVGRJU-CQSZACIVSA-N 459.362 1.878 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CI)C2(CCOCC2)C1 1984670584 YGAUTPSEIGJQMC-UHFFFAOYSA-N 460.334 1.811 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](Br)C[C@H]21 2013004607 GGNCXZVNRXSNPO-APHBMKBZSA-N 457.346 1.629 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H](CBr)C1 2046018615 JQUUDMPSFYSXDG-FZKQIMNGSA-N 477.352 1.684 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(CCOCCI)C2)[C@@H]1CO 2306799456 NSBZXFYOUCMUBM-ZQDZILKHSA-N 454.349 1.892 50 10 JDGE COc1ccc(S(=O)(=O)N2CCOCC2)cc1N1CCN(C(=O)C(Cl)Cl)CC1 95924971 YAEBGTNEGYWISC-UHFFFAOYSA-N 452.360 1.168 50 10 JDGE CC(C)Cn1ncc2cc(C(=O)NNc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cnc21 728214682 SDMBZMHWLYUZGU-UHFFFAOYSA-N 471.587 1.780 50 10 JDGE Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(C)c(I)c2)n1 728732101 GDJBBVCEAYRTET-UHFFFAOYSA-N 473.292 1.911 50 10 JDGE O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NNC(=O)c1ccc(Cl)cc1 746030010 HZZHOAIHQVCBGR-UHFFFAOYSA-N 492.941 1.884 50 10 JDGE COc1ccc(OC)c(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)c1 1860770631 QFFIXEFCXZFFJQ-GFCCVEGCSA-N 492.579 1.925 50 10 JDGE O=C(NC1(C(=O)NCc2cnc(B(O)O)s2)CC1)OCC1c2ccccc2-c2ccccc21 1902375142 QZUOVTLRJBMIPU-UHFFFAOYSA-N 463.324 1.510 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B(O)O)cs2)CCN1C(=O)OC(C)(C)C 2247886244 ZSNWECFVZODVHS-UHFFFAOYSA-N 455.342 1.273 50 10 JDGE COc1ccc(CNC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2253233821 UAHMFHGAFXBAOT-UHFFFAOYSA-N 460.295 1.530 50 10 JDGE COc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 3144015 MRNMFLCGHGAEJS-ABXBDQSGSA-N 484.425 1.757 50 10 JDGE CC(COc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1 254383758 KJMZRFBELZLAJU-UHFFFAOYSA-N 463.414 1.992 50 10 JDGE O[C@H](CBr)Cn1cnc(I)c1I 306425440 OKJLKMRHEYKKDZ-SCSAIBSYSA-N 456.847 1.848 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@H](CBr)C1 703992650 CTQBFWIPCIBHOU-CYBMUJFWSA-N 459.362 1.734 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1 729448914 GKAURURBDTYBQR-RDAAMTITSA-N 480.569 1.566 50 10 JDGE CC(=O)N/C(=C/c1cccs1)C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1611046250 XSGWNYZGFTVTSB-DTQAZKPQSA-N 451.549 1.861 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc4ccccc4n3)c2)CC1 1633241055 LTXMBWDKWLQVFD-UHFFFAOYSA-N 453.524 1.845 50 10 JDGE COc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860770296 BSOLLLDLLZEKRW-GFCCVEGCSA-N 492.579 1.925 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860770721 ULIREVPESINLGO-LLVKDONJSA-N 477.524 1.501 50 10 JDGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CNC(=O)c4ccccc4)c(=O)c23)C1 1860772067 QAQCOIHFZTYMCG-KBPBESRZSA-N 467.551 1.721 50 10 JDGE O=C(NOCCCNC(=O)c1ncccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2247760463 IKVXZMKEQPQCOZ-UHFFFAOYSA-N 461.283 1.352 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)s1 2256624447 WJDJDKUCRIETHC-SFHVURJKSA-N 461.393 1.412 50 10 JDGE Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)cc1B(O)O 2278700636 PKXISDCVUATMHJ-DYESRHJHSA-N 456.348 1.790 50 10 JDGE O=S(=O)(CCBr)CCNS(=O)(=O)Cc1ccsc1Br 2335773839 YAFGRKGGOFJBSB-UHFFFAOYSA-N 455.215 1.740 50 10 JDGE COc1cc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc(OC)c1OC 749112946 HSFGLFYJZZCDTA-CYBMUJFWSA-N 469.541 1.388 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cnn(CC)c1 1083905519 ODHSFBQBSPFWDR-UHFFFAOYSA-N 450.532 1.716 50 10 JDGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(-c2ccccc2)n1 1115895991 AYIMIAQKOOOTKV-HEHNFIMWSA-N 473.537 1.967 50 10 JDGE C#CC[C@@H](NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1312322745 FJCCSTWPPNUXHK-HXUWFJFHSA-N 456.524 1.416 50 10 JDGE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(O)(CNS(=O)(=O)CI)C2 1988050607 DXIXNGDAQJNKAA-QWRGUYRKSA-N 460.334 1.591 50 10 JDGE COC[C@H](Br)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544842 QERQBZXCRMTTPP-PXAZEXFGSA-N 465.341 1.682 50 10 JDGE O=C(NCCNC(=O)c1cc(F)c(B(O)O)cc1F)OCC1c2ccccc2-c2ccccc21 2247843792 QMCAIRRFNJVSSS-UHFFFAOYSA-N 466.249 1.913 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ccc(Cl)cc2B(O)O)C1 2267346335 AFFBCIDXALUXLR-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE COc1ccc(OC)c(N(CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)c1 254763009 UZUMYBQIHGQLMG-UHFFFAOYSA-N 466.472 1.537 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCCNS(=O)(=O)N2CCC(Br)CC2)CC1 2162590118 YCRBXTVMWJDFIO-UHFFFAOYSA-N 469.446 1.623 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 2179867806 AVMNYVSPBXEHJA-DLBZAZTESA-N 455.378 1.969 50 10 JDGE CN(Cc1ccccc1B(O)O)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268709905 FNLNBYDAQIASJG-HXUWFJFHSA-N 456.348 1.825 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@H]1CCOC[C@@H]1Br 1942090942 ZXFYWVRJEADWNJ-HOTGVXAUSA-N 459.362 1.925 50 10 JDGE CN(CCc1nc(NS(=O)(=O)N2CCC(Br)CC2)n[nH]1)C(=O)OC(C)(C)C 2185308702 OSYIRUBIOARXAC-UHFFFAOYSA-N 467.390 1.730 50 10 JDGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNc2ncc(Br)cc2B(O)O)C1 2240337621 UJQLQQRJBHJYMB-SNVBAGLBSA-N 450.089 1.828 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1sccc1B(O)O 2255513960 AVXPZAOXQOKTIA-UHFFFAOYSA-N 471.385 1.356 50 10 JDGE CCN(C[C@H](Cl)OS(C)(=O)=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 95483587 KSARFVFUQIMFOO-UONOGXRCSA-N 450.897 1.102 50 10 JDGE CC(=O)N/C(=C\c1ccccc1)C(=O)NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1295261674 RQTYWEZITGLGIM-PGMHBOJBSA-N 457.556 1.243 50 10 JDGE Cn1nnc(Br)c1S(=O)(=O)N1C[C@@H](Br)[C@H](Br)C1 1910007348 RIGLUAWZTZEJBC-RFZPGFLSSA-N 452.954 1.109 50 10 JDGE CN1C[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)[C@H](Br)C1 1942697322 YSLGUIUTCKZMRA-CABCVRRESA-N 458.378 1.306 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106306154 WBHRFEMNEVUZHQ-RFQIPJPRSA-N 454.387 1.361 50 10 JDGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179820192 VFSHZMCVMWBDDM-RTBURBONSA-N 458.422 1.923 50 10 JDGE Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)cc1B(O)O 2231648567 YHXQRUGVPWTVQK-UHFFFAOYSA-N 464.372 1.364 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCc2ccc(B(O)O)cc2)C1 2268832443 IAXPNUGIVWYZDN-UHFFFAOYSA-N 454.332 1.437 50 10 JDGE CN1C(=O)C(=NNC(=O)CCCCCC(=O)NN=C2C(=O)N(C)c3ccccc32)c2ccccc21 245285201 WJNJEIHZKQTDSG-UHFFFAOYSA-N 474.521 1.931 50 10 JDGE CC(=O)O[C@@H]1C=COC=C2C[C@@]34SS[C@@]5(CC6=COC=C[C@H](O)[C@H]6N5C3=O)C(=O)N4[C@@H]21 257440727 HXWOWBFXYUFFKS-HAYKSNRISA-N 462.505 1.138 50 10 JDGE in-man CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 1135530713 BBMGNUABOIHUDJ-UHFFFAOYSA-N 454.527 1.689 50 10 JDGE C#CC[C@]1(C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C)CCCN1C(=O)OC(C)(C)C 1293609239 KGKQCWHECVMOTA-OAQYLSRUSA-N 453.540 1.635 50 10 JDGE C=C(C)[C@H](CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC 1349743551 COFPNZGHZDGNFB-IBGZPJMESA-N 453.561 1.159 50 10 JDGE COc1cc(C(=O)NCC(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)cc(OC)c1OC 1873777836 UAQHQZIQNDVJHH-OAHLLOKOSA-N 471.514 1.219 50 10 JDGE C[C@@H]1CO[C@H](CBr)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942094572 GTCPCYNBMSPJTI-ZIAGYGMSSA-N 459.362 1.877 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C[C@@]1(CBr)CO2 2046030364 XOLXCSKWQCOUSH-OCBCSQNSSA-N 475.336 1.579 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2256621306 SQKMWROLQMLCCN-KXBFYZLASA-N 462.377 1.851 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ccc(B(O)O)c(Cl)c2)C1 2266931035 JYCVJKOPCPACLC-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCOCCI 2306799479 NVKMNYOPMPGVLB-ZDUSSCGKSA-N 456.321 1.922 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)N2CC[C@H]1C2 2368634348 LGKHVZUJYJKMBP-GJZGRUSLSA-N 467.430 1.374 50 10 JDGE COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1I 13629212 DBTTUAKTHBJGJL-LBPRGKRZSA-N 483.262 1.703 50 10 JDGE Cc1cc2c(c(=O)n1CCN(C)C)[C@@]1(C(=O)N(C[C@@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39919021 HAXIKPBTYMNHAI-QLXKLKPCSA-N 475.549 1.616 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](Br)C[C@]2(CCCO2)C1 1924281068 OTKVLJLTEVLEPY-SCLBCKFNSA-N 457.346 1.631 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1C[C@@H](CBr)CO1 2046023799 VRNBWVXTEPAZNL-LXIYXOSZSA-N 477.352 1.730 50 10 JDGE Cc1sc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2268639119 MRBGFALRUFEMHR-GOSISDBHSA-N 475.420 1.686 50 10 JDGE Cc1cccc(B(O)O)c1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2281743098 CKUHNEBTWVZWQH-FQEVSTJZSA-N 467.375 1.526 50 10 JDGE Nc1c(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cnc2ccc(Cl)cc12 32605647 FPMTVGFIVKMRJO-UHFFFAOYSA-N 489.941 1.566 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCCc1ccc(B(O)O)cc1 2205500458 ZUBLHMSCMVFQAJ-FQEVSTJZSA-N 470.331 1.052 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2sc(B(O)O)cc2C1 2268717300 KAIWACBAXITUBO-GOSISDBHSA-N 474.388 1.813 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2cccc(B(O)O)c2C1 2268718174 WVGZTIUUENGTJN-OAQYLSRUSA-N 454.332 1.361 50 10 JDGE CC(C)(C)OC(=O)NCc1nnc2n1CCN(CCOCCI)C2 2306802000 LGSPWLUYSQYOEQ-UHFFFAOYSA-N 451.309 1.570 50 10 JDGE CCN(CC)c1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)C(F)(F)F)n[nH]2)cc1 20832846 JNYFNWZQDJKOFL-ZVBGSRNCSA-N 458.470 1.899 50 10 JDGE COc1cc(C=NNC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)ccc1O 1084080060 RASGGTPNFBOCRD-UHFFFAOYSA-N 488.442 1.432 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2ccc([N+](=O)[O-])cc2)n1)NNC(=O)c1ccc(F)cc1 1084418420 YRGUGGNJGWRVSM-UHFFFAOYSA-N 458.435 1.851 50 10 JDGE O=C(NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCO2)cc1)Oc1ccc([N+](=O)[O-])cc1 1859003214 GXAIUFHAYAGUAX-GOSISDBHSA-N 463.468 1.910 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCOC[C@@H]1CCBr 1942098941 QMMKNLMZAGPAJD-AWEZNQCLSA-N 459.362 1.878 50 10 JDGE Cc1nc(I)c(NS(=O)(=O)CCl)c(I)n1 1975069853 DUDGEQYJEYMUKA-UHFFFAOYSA-N 473.461 1.932 50 10 JDGE Cc1ccc(S(=O)(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c(B(O)O)c1 2267390444 DDFLGGUPHQVDBN-UHFFFAOYSA-N 476.360 1.417 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCOCCI)[C@H]2CS(=O)(=O)C[C@@H]21 2306797940 ALGSYTZOIMOKCZ-STQMWFEESA-N 474.361 1.156 50 10 JDGE CC(=NNC(=O)c1ccc(CN(C)C)o1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 916364891 AGLAPCAVCNDJSW-UHFFFAOYSA-N 476.555 1.981 50 10 JDGE COc1cccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860769802 IJQNAUMIOUZWBY-ZDUSSCGKSA-N 456.524 1.818 50 10 JDGE CN([C@H]1COC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942097477 IMBFQKQKZSZXAM-HOTGVXAUSA-N 459.362 1.877 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCI 1954817477 OTICIKAEPBXWEQ-CQSZACIVSA-N 454.261 1.365 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@@H](CBr)[C@@H]2C1 2000543537 NEXGBWFHKWUTON-AFIMGQEJSA-N 459.337 1.913 50 10 JDGE C[C@@]1(NS(=O)(=O)c2ccc(B(O)O)cc2Cl)CCN(C(=O)OCc2ccccc2)C1 2282727159 GTKCEVLGWHHTLT-LJQANCHMSA-N 452.725 1.099 50 10 JDGE O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 12502298 IAJJXSRFDORZGU-UHFFFAOYSA-N 472.439 1.801 50 10 JDGE CCOCCCNC(=O)/C(C#N)=C\Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 253321024 SGGREJAWQVKLGL-PFONDFGASA-N 456.952 1.723 50 10 JDGE COc1cc(C(=O)NCC(=O)NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc(OC)c1OC 254483990 ZYPJEJSCFAHXLF-UHFFFAOYSA-N 477.386 1.115 50 10 JDGE C=CCN1C(=N/C=C(/C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@H]21 254877707 OFLMKAIZSDCAEC-DEUUUYADSA-N 490.607 1.526 50 10 JDGE C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Br)cc2)cc1 1568023968 JMMWDTXHYCJFHL-UHFFFAOYSA-N 451.302 1.827 50 10 JDGE CN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CBr 2029233232 QKZSCLLYNPMLMB-HNNXBMFYSA-N 472.405 1.794 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C1 2044689594 UOQGRAWJTISOHG-FNODVLLQSA-N 460.416 1.856 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(S(=O)(=O)CI)C2)[C@H]1CO 2212445378 AEQFCDFXVUTIKK-NNYUYHANSA-N 460.334 1.162 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cccc(B(O)O)c2F)C1 2266941016 RMNFILZWQMGKOO-UHFFFAOYSA-N 458.295 1.130 50 10 JDGE C/C(CCc1ccccc1)=N/NC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O 33676486 QEWRTUBVTGFPPI-VYYCAZPPSA-N 488.512 1.682 50 10 JDGE CCN(CC)C(=O)CNS(=O)(=O)c1ccccc1C(=O)NN=Cc1cccc([N+](=O)[O-])c1 254607558 VXVPRHUUWFFDBT-UHFFFAOYSA-N 461.500 1.505 50 10 JDGE CC(=O)N1CC[C@@H](NC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc21 1312304205 JWPNGQJLRMBTOS-GOSISDBHSA-N 459.528 1.379 50 10 JDGE C=C[C@@](C)(CC)C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1641100746 AFYMCEJOTMDKBF-KKSFZXQISA-N 453.561 1.702 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2sccc2B(O)O)CCN(Cc2ccccc2)CC1 2267293133 MNZZMOOJYKBBTK-UHFFFAOYSA-N 473.404 1.717 50 10 JDGE Cn1cc(C(=O)NNC(=O)CNC(=O)c2ccccc2I)c2ccccc21 26937915 GLKNLGFSPGEUPV-UHFFFAOYSA-N 476.274 1.974 50 10 JDGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@H]1CCN1C1CCOCC1 1646043396 BBVXPHWXQVGGSC-MRXNPFEDSA-N 454.321 1.431 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CI)C[C@@]12CCCOC2 1983330997 UMIIQUQEXJEOCJ-SMDDNHRTSA-N 460.334 1.857 50 10 JDGE CO[C@@H]1C[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2067189279 PVICLCXGHUSFKJ-OPNLHGRLSA-N 477.352 1.871 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NS(=O)(=O)N2CCC(Br)CC2)C1 2133594912 VKDSQJSSTPPVKH-MRXNPFEDSA-N 456.403 1.442 50 10 JDGE O=C(CN1CCC(CNC(=O)OCc2ccccc2)CC1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 2195882947 GAPNQTKLFKBUAF-ZWKOTPCHSA-N 457.980 1.145 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2247942281 SBDIJSNTCXWQRQ-UHFFFAOYSA-N 486.808 1.892 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B(O)O 2268635823 WDJJPGDIZVHLKQ-UTKZUKDTSA-N 456.348 1.524 50 10 JDGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)ccc1O 254290314 SHRPWJDILYDFMX-CYBMUJFWSA-N 469.506 1.475 50 10 JDGE C=C(C)C(C)(C)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 1629374284 AXHIDACRUZQZHZ-UHFFFAOYSA-N 452.515 1.178 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNc1cncc(Br)c1)c1ccc(S(C)(=O)=O)cc1 1633091662 VIZBVQZLTXBWSZ-QGZVFWFLSA-N 455.334 1.742 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770336 DMHVGYIQSIUALU-UHFFFAOYSA-N 475.552 1.305 50 10 JDGE CO[C@@H]1C[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2014104962 PFYRXZGTXZGESL-VBNZEHGJSA-N 459.362 1.923 50 10 JDGE CN1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H](CCBr)C1 2138076758 CRQLJPRTHKNZSM-AUUYWEPGSA-N 490.395 1.742 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCn2c(CCl)nnc2C1 2171785545 XXVANEPQCAWBRG-UHFFFAOYSA-N 451.936 1.629 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2COC[C@]2(CBr)C1 2219057299 NPJQZOGYVDFTMD-KUHUBIRLSA-N 471.373 1.736 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268702720 XOGCCAYDVRTLBT-DOTOQJQBSA-N 477.392 1.843 50 10 JDGE OB(O)c1cc(OCc2ccc(I)c(Br)c2)ncc1F 2377621495 HVPIEMMJYGUQBM-UHFFFAOYSA-N 451.826 1.847 50 10 JDGE N#C/C(C(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)=C1/NC(=O)c2ccccc2N1 28724168 IBZBGQJOAAHCQU-NMWGTECJSA-N 462.485 1.542 50 10 JDGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 40658499 BYQBRRYSUBYRDD-UHFFFAOYSA-N 482.413 1.744 50 10 JDGE CC(=O)OC[C@@H]1O[C@H](Br)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 44608504 GRDUQQNEXMJRRS-RZFLPCETSA-N 498.282 1.198 50 10 JDGE Cc1cc(C)nc(SCc2ccc(C(=O)NNC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)n1 814320069 HUMTUYUZBQUNGO-UHFFFAOYSA-N 454.512 1.554 50 10 JDGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 1084107932 JZEVABODBRFXOI-UHFFFAOYSA-N 453.904 1.808 50 10 JDGE CN(C)[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2029435377 MINGZVBRAYNUEX-HOTGVXAUSA-N 472.405 1.648 50 10 JDGE CN1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@H](CNC(=O)C(F)(F)F)C1 2163052480 DVEAHEQRSAIBLI-GFCCVEGCSA-N 458.300 1.565 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(S(=O)(=O)N1CCC(Br)CC1)CCO2 2163054094 UILRMTGCWAACMA-QGZVFWFLSA-N 468.414 1.802 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NS(=O)(=O)N3CCC(Br)CC3)CO2)C1 2201727825 KDMBTDOCAYUZKJ-YOEHRIQHSA-N 468.414 1.849 50 10 JDGE COc1ccc(B(O)O)cc1S(=O)(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21 2255755855 WLNYRWJHITXAMX-UHFFFAOYSA-N 496.350 1.192 50 10 JDGE Cc1sc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(B(O)O)c1C 2267445666 HMXJKJBTVYENSE-UHFFFAOYSA-N 485.412 1.536 50 10 JDGE CC(=NNC(=O)Cn1c(=Nc2cccc(C)c2)[nH]c2c1c(=O)n(C)c(=O)n2C)c1ccccc1 2328610869 VCRIICDEXWHHJS-UHFFFAOYSA-N 459.510 1.448 50 10 JDGE CC(C)OCCCNC(=O)/C(C#N)=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O 34990584 UZRCFFXYLXDBIA-MNDPQUGUSA-N 481.553 1.876 50 10 JDGE CCC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccccc1 254742763 SPLOXXHBMHVYHS-UHFFFAOYSA-N 453.492 1.197 50 10 JDGE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 728212990 PUSXEPMWCHGKQA-UHFFFAOYSA-N 488.570 1.296 50 10 JDGE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1457501636 BBVRETCPMOIHCK-XPIZARPCSA-N 481.571 1.081 50 10 JDGE Cc1nc(I)c(I)n1CCC(C)(C)C(=O)NN 1941552913 NVWBMHUOFQFIFJ-UHFFFAOYSA-N 462.073 1.807 50 10 JDGE CC(C)(C)OC(=O)NCCN1CCC(NS(=O)(=O)N2CCC(Br)CC2)CC1 2162589501 RBFHDIOGTWBTMT-UHFFFAOYSA-N 469.446 1.669 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2COC[C@@]2(CBr)C1 2226176277 PUVUJTHJBNKZBN-JLTOFOAXSA-N 485.400 1.982 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](O)(CCNS(=O)(=O)N2CCC(Br)CC2)C1 2230118381 PAWNYGZZRQCLPG-MRXNPFEDSA-N 456.403 1.442 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)ccc1B(O)O 2256627397 AFFXOAKFMDOQOH-IBGZPJMESA-N 461.755 1.984 50 10 JDGE O=C(OCc1ccccc1)N1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(B(O)O)c2)C1 2282366031 IDMVIZNIABBSKT-HNNXBMFYSA-N 452.725 1.099 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1sc(Cl)cc1B(O)O 2320682359 VXMZMGQNSGYDFU-INIZCTEOSA-N 481.811 1.723 50 10 JDGE Nn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 58989326 CCWPWCJSGGTLIS-DNTJNYDQSA-N 460.407 1.857 50 10 JDGE COc1cc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)ccc1O 254746383 RRZLAIQOSORWGZ-UHFFFAOYSA-N 489.496 1.663 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cnn(CCOC)c1 1084609229 LKAWIMCIVYMUAI-UHFFFAOYSA-N 480.558 1.342 50 10 JDGE COC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](Br)[C@H](OC)N1C(=O)OC(C)(C)C 1531865483 OQEGSELLFXSYFT-ABHRYQDASA-N 465.341 1.522 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(S(=O)(=O)CBr)C1 1962844631 HHQBTHOISHNNGE-KBPBESRZSA-N 468.414 1.896 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)COc2ncc(Br)cc2B(O)O)C1 2240287800 STECLUOMOUXPEN-SNVBAGLBSA-N 451.073 1.795 50 10 JDGE CC(C)(C)OC(=O)N1CCC(Nc2ncc(Br)cc2B(O)O)(C(F)F)CC1 2240338395 AJTISACQZRZVDT-UHFFFAOYSA-N 450.089 1.971 50 10 JDGE CCOc1cc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc(Br)c1O 2323164351 UCPGKZGVUKYSHE-ZETCQYMHSA-N 458.294 1.781 50 10 JDGE COc1ccc(/C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC 33661530 VDVGCJXMORYDRC-LICLKQGHSA-N 457.464 1.907 50 10 JDGE CCCOc1c(Cl)cc(/C=N/NC(=O)[C@@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc1OCC 169890798 GXTQBHKBHKCQIQ-KTMXNEEYSA-N 455.924 1.930 50 10 JDGE CC(=NOCC(=O)NN=C1C(=O)N(CN2CCN(C)CC2)c2ccccc21)c1cccs1 254514709 WQYPHCWEDYOEKL-UHFFFAOYSA-N 454.556 1.561 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 2177846641 KAWYNQIEOPJRPH-PSASIEDQSA-N 467.588 1.941 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CCCN(S(C)(=O)=O)C2)C1 2249187030 DVCYPFQPFIHUGG-RWMBFGLXSA-N 474.361 1.850 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2OCC[C@]2(CBr)C1 2253351032 NEYISWMAOAMQEC-YJBOKZPZSA-N 457.346 1.488 50 10 JDGE Cc1ccc(B(O)O)c(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2281728836 KFPXDRHLBRLOQP-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)c1ccc(C=O)c(B(O)O)c1 2317311089 KPGRRTFWCRBPSY-UHFFFAOYSA-N 451.329 1.035 50 10 JDGE COC(=O)[C@H](I)CNC(=O)c1ccc(I)cc1 234597208 VEUNLBRPXFCWKJ-SECBINFHSA-N 459.021 1.998 50 10 JDGE O=C(Cn1nnc(-c2ccccc2)n1)NN=C1C(=O)Nc2c(I)cccc21 750917152 CNCIINWBNPKAGK-UHFFFAOYSA-N 473.234 1.417 50 10 JDGE CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 752816797 XWBMGCVSOQCSJL-SFHVURJKSA-N 464.931 1.913 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccc(OCC)c(OC)c2)s1 1135634994 XWDAFZXFWFWYEF-UHFFFAOYSA-N 453.542 1.623 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@H]1COC[C@H]1Br 2000540761 QIALQQHUARWIDM-KHIZAZIESA-N 463.325 1.340 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)COc2ncc(Br)cc2B(O)O)C1 2240287799 STECLUOMOUXPEN-JTQLQIEISA-N 451.073 1.795 50 10 JDGE Cc1sc(B(O)O)c(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1C 2267439132 MKVAEFKXWAOUAI-UHFFFAOYSA-N 485.412 1.536 50 10 JDGE C[C@]1(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)CCCN(C(=O)OCc2ccccc2)C1 2282740949 HUYNXFMDQQPRLH-SFHVURJKSA-N 472.781 1.551 50 10 JDGE CC[C@](C)(Cn1c(C)nc(I)c1I)C(=O)NN 2303438236 HFFGHMKVPZWIPT-SNVBAGLBSA-N 462.073 1.807 50 10 JDGE CC(=O)NNC(=O)[C@H](C)Sc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253570727 OAGLJOWSBPZYOM-PUFAJPFRSA-N 470.563 1.459 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2ncc(B(O)O)cc2Cl)C1 2255574830 HQMVDGGXGWIROF-UHFFFAOYSA-N 461.711 1.608 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ncc(B(O)O)cc2F)CCN(Cc2ccccc2)C1 2268634527 IRRRMCYRIQVLMB-QFIPXVFZSA-N 458.299 1.008 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=NNC(N)=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297736562 GFJQQPYCTIQFPJ-UABGSTQISA-N 461.559 1.353 50 10 JDGE CC(=O)N1CCN(c2ccc(C(=O)NNC(=O)c3cn(C)c4ccccc34)cc2[N+](=O)[O-])CC1 15092739 GHGSUSQUOLVTDF-UHFFFAOYSA-N 464.482 1.830 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CN2CCCc3ccccc32)cc1 21778243 HAWVXXARXKCMCY-UHFFFAOYSA-N 458.540 1.158 50 10 JDGE COc1ccc(N(CC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1 254392513 OKYUPVMQTNWWSI-UHFFFAOYSA-N 466.472 1.537 50 10 JDGE C=CCOc1cc(OC)ccc1C(=O)NNC(=O)CN1CCN(C(=O)c2ccccc2)CC1 1622153832 WGLCRCDDHJCYLD-UHFFFAOYSA-N 452.511 1.479 50 10 JDGE CC(=O)N/C(=C/c1cccs1)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1634403584 MYUSZDFXNWFNKC-GHRIWEEISA-N 450.542 1.389 50 10 JDGE Cc1ccc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278701234 SVYOMOTZMSLWPN-OAQYLSRUSA-N 455.364 1.316 50 10 JDGE O=C(OCc1ccccc1)N1CCN(S(=O)(=O)c2c(Cl)cc(B(O)O)cc2Cl)CC1 2282720464 AJOZMPQTORNNAY-UHFFFAOYSA-N 473.143 1.316 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 254443799 KATFIFDXFAXNSF-UHFFFAOYSA-N 477.397 1.690 50 10 JDGE COC(=O)C1=c2sc(=Cc3ccccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1F 254447530 SFDWCWXTTXPWTE-SFHVURJKSA-N 451.454 1.789 50 10 JDGE NNC(=O)COc1c(I)cc(Cl)cc1I 308968862 OECVKRWMMXHWHT-UHFFFAOYSA-N 452.417 1.918 50 10 JDGE CCOC(=O)COc1c(Br)cc(C=NNC(=O)CN2CCOCC2)cc1OCC 1083989741 BCVOZPRWWFDQHZ-UHFFFAOYSA-N 472.336 1.572 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(Cl)cc(B(O)O)c1 2266940803 OEUIRLXMZJUYRC-UHFFFAOYSA-N 485.774 1.511 50 10 JDGE COc1ccc(CNC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278704091 NVKAKKQXGXGLMI-LJQANCHMSA-N 458.320 1.101 50 10 JDGE Cc1cc(CN(C)C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)sc1B(O)O 2283955323 DPQLMCBHAWMWJW-DEOSSOPVSA-N 487.431 1.864 50 10 JDGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 2313892724 DBFYCTWIBXOJRJ-AWEZNQCLSA-N 457.468 1.272 50 10 JDGE CCOc1ccccc1/C=N/NC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 27500461 QDBFCMKJZKEHJU-SSDVNMTOSA-N 463.414 1.970 50 10 JDGE CCN1C(=O)/C(=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 102011367 CHXSOWOHBXCTIK-XVFGGTIZSA-N 450.524 1.865 50 10 JDGE CN1CCN(S(=O)(=O)c2ccc(NNC(=O)c3cccc(CN4CCCC4)c3)cc2)CC1 728216391 YWUUTUZNJXOZQF-UHFFFAOYSA-N 457.600 1.975 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860770722 ULIREVPESINLGO-NSHDSACASA-N 477.524 1.501 50 10 JDGE C[C@H](Br)[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCO1 2005903927 QKOOXXBYLAQYPI-XJKSGUPXSA-N 459.362 1.877 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@@H](CCl)O[C@H]2C1 2279913475 NGCOWZZICODUCZ-COXVUDFISA-N 456.948 1.346 50 10 JDGE O=C(N[C@H]1CC[C@H]1NS(=O)(=O)c1c(Cl)cc(B(O)O)cc1Cl)OCc1ccccc1 2282366869 UUVLNAUHSRTRQH-JKSUJKDBSA-N 473.143 1.409 50 10 JDGE CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc1Br 169890817 RCAVVFYPNZEAAM-SEYNJHBTSA-N 456.322 1.640 50 10 JDGE O=C1OC(=O)[C@H]2CN(S(=O)(=O)c3cc(Br)sc3Br)CC[C@H]12 252743695 QGBUJBYTBLJNKA-WDSKDSINSA-N 459.137 1.983 50 10 JDGE COCc1c(Br)c(C)n(CC(=O)NN=Cc2cc([N+](=O)[O-])c(O)cc2O)c(=O)c1C#N 254352234 ZDQQKCQMIIOHPV-UHFFFAOYSA-N 494.258 1.407 50 10 JDGE Nc1nonc1-n1nnc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O 254423291 LVZZMOKVYSDKDA-UHFFFAOYSA-N 480.357 1.185 50 10 JDGE C/C(=N\NC(=O)Cn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)c1ccc(O)cc1 606629697 FDOJANIAKQVVFT-LQKURTRISA-N 489.536 1.334 50 10 JDGE C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1nn(Cc3ccccc3)c(=O)c3ccccc13)CS2 904220570 CZRQGOKJESTUQZ-HOYKHHGWSA-N 477.546 1.660 50 10 JDGE CC(=O)N(C)c1ccc(NC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1658821030 AFDYNMWQEKHWFC-UHFFFAOYSA-N 459.528 1.920 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCCc1ccc(B(O)O)cc1 2140567882 RGHYZUONVVXTAU-NRFANRHFSA-N 456.348 1.525 50 10 JDGE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@@H]2OCC[C@H]21 2162594900 SFGWSIVCZMUATF-ZNMIVQPWSA-N 468.414 1.847 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268677312 SBKKXXQQILFLCV-INIZCTEOSA-N 476.408 1.369 50 10 JDGE O=C(NCCCCCNS(=O)(=O)c1ccc(B(O)O)cc1Cl)OCc1ccccc1 2282372858 FEXLGSRNCKHCPI-UHFFFAOYSA-N 454.741 1.395 50 10 JDGE COc1cc(C=NNC(=O)[C@@H](C)Sc2nnc(O)nc2O)cc([N+](=O)[O-])c1OC(C)C 2323157866 VNCJDEAZHPXCCA-SECBINFHSA-N 452.449 1.618 50 10 JDGE N#CC1=C(N)n2c(sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 254746659 HRPMQURERTYCRG-LJQANCHMSA-N 472.442 1.678 50 10 JDGE CN(C)C[C@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 717364435 HBORHLFKCWRYOB-CYBMUJFWSA-N 460.394 1.553 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](CNS(=O)(=O)CI)C2)C1 1983329107 GJMOBSWZZDAEOH-RISCZKNCSA-N 460.334 1.714 50 10 JDGE C[C@@H](Br)CN1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2056755072 ODTGRWGEYHLWQU-OAHLLOKOSA-N 472.405 1.794 50 10 JDGE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCCO1 2106777901 XUINUSGQILXQJT-CQSZACIVSA-N 456.403 1.706 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(B(O)O)ccc1Cl 2256681659 OLXJOINMCPCIGY-CXAGYDPISA-N 463.727 1.852 50 10 JDGE Cc1cc(Br)ccc1OCC(=O)NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 13629407 JBIRUKTUCMEXTF-ZDUSSCGKSA-N 450.289 1.925 50 10 JDGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 40658142 ZXNIAIYVJHVCNG-UHFFFAOYSA-N 465.430 1.772 50 10 JDGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2cccnc2)c1[N+](=O)[O-] 40659003 SHOQFWRGVNEBLY-UHFFFAOYSA-N 453.375 1.131 50 10 JDGE COC(=O)COc1cccc(C=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 1084117464 NGHJYMYFSMLTRZ-UHFFFAOYSA-N 498.355 1.917 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2cocc2B(O)O)CCN(Cc2ccccc2)CC1 2270489442 MVKXYUWZCJNWQL-UHFFFAOYSA-N 457.336 1.249 50 10 JDGE Cc1cc(S(=O)(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)sc1B(O)O 2282421251 LJFGHBZNCWWYBX-MRXNPFEDSA-N 452.363 1.063 50 10 JDGE C[C@@H](c1cscc1B(O)O)N(C)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283967414 CMZXMDBAGXSSNJ-KXBFYZLASA-N 490.387 1.974 50 10 JDGE O=C(N[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2B(O)O)C1)OCc1ccccc1 2296004163 VHSBMQYNXROJMC-OAHLLOKOSA-N 452.725 1.099 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H](CBr)C1 703992651 CTQBFWIPCIBHOU-ZDUSSCGKSA-N 459.362 1.734 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)CCC3CCCCC3)c2)CC1 727348191 REKPPHZCCQMJEJ-UHFFFAOYSA-N 464.588 1.661 50 10 JDGE Cc1cc(/C=C(\C#N)C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 920289781 BSDHWFOFGILZTH-OBXYEHHASA-N 472.542 1.902 50 10 JDGE C=C[C@](C)(CCOC)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1463715874 KGWVBKYAJZFNKM-OAQYLSRUSA-N 453.561 1.016 50 10 JDGE C[C@H](Br)CN1CCCN(S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1 2007834118 PTLVPMMAZJAGGL-AWEZNQCLSA-N 458.378 1.404 50 10 JDGE CC1(C)OC[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1Br 2022063709 PQDPJBCVTWKYMI-CABCVRRESA-N 459.362 1.923 50 10 JDGE CC(C)[C@H](CBr)N(Cc1ccccc1)S(=O)(=O)N1CCS(=O)(=O)CC1 2045266299 YBRXFKSXLGVAAK-INIZCTEOSA-N 453.424 1.883 50 10 JDGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)CC1 2163055872 MANCIEAZPLDJEO-SANMLTNESA-N 489.458 1.656 50 10 JDGE Cc1csc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1B(O)O 2256620648 KVPHUOQBOJJEQU-BEFAXECRSA-N 462.377 1.851 50 10 JDGE Cc1oc(B(O)O)cc1C(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2281591413 HXNVVTJALMZBAP-UHFFFAOYSA-N 471.363 1.557 50 10 JDGE Cn1cc(I)c(CN2CCN(CCOCCBr)CC2)n1 2367599173 BCSJTCYECFZRBY-UHFFFAOYSA-N 457.154 1.554 50 10 JDGE N#C/C(=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1 34990360 KODPLLIQCUNSAY-UMADGWCESA-N 465.510 1.240 50 10 JDGE O=C(Nc1nnc(CCBr)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 36238412 ZNVLBJSTBGAEBV-UHFFFAOYSA-N 461.363 1.749 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)Cc1ccccc1Br 2226106208 UEADPJMECYVHQP-JTQLQIEISA-N 462.103 1.845 50 10 JDGE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cn(C)c3ccccc23)CC1 24320045 SACHFPADWXFPHD-UHFFFAOYSA-N 498.561 1.827 50 10 JDGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)cc1 254467992 SNCVIFRUVKBHSV-UHFFFAOYSA-N 462.426 1.459 50 10 JDGE CC(=O)N1CC[C@@H](NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(Cl)cc2)C1 1557655606 JRSBSSBGKUJJNU-NXIIHZOPSA-N 454.918 1.723 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)c(=O)c2c1C 1865852028 NPVAMQNBDGQUAW-UHFFFAOYSA-N 481.534 1.788 50 10 JDGE Cc1nc(I)c(I)n1Cc1cccc(B(O)O)c1 2220061534 GBHBNICPNQPQBW-UHFFFAOYSA-N 467.841 1.129 50 10 JDGE CO[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H](CCl)[C@H]1OC 2233352835 FQMBKPZCZIHKKM-WFXMFSGNSA-N 462.927 1.294 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(B(O)O)cc1F 2269697998 OYLQJJZNCDIIPN-QRWLVFNGSA-N 460.311 1.620 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B(O)O 2289665977 RZRHLXOSGHKWFR-IIBYNOLFSA-N 474.338 1.663 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CC[C@H]3CCCCN3C(=O)CCl)nc2)OC1(C)C 204881700 FCKHCNLCKQSWGK-OAHLLOKOSA-N 457.789 1.560 50 10 JDGE CN1C(=O)N(CC(=O)NNC(=O)COc2ccc(Br)cc2)C(=O)C12CCCCC2 916619765 ARGYBXKKRQQIFF-UHFFFAOYSA-N 467.320 1.572 50 10 JDGE C#CCCCCC(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1641101461 OSPJTPXCKDYHRS-KRWDZBQOSA-N 451.545 1.294 50 10 JDGE C=CCNS(=O)(=O)c1cc(C(=O)NNc2ccccc2S(=O)(=O)N(C)C)ccc1F 1641979814 ZKARIGMVNULTJJ-UHFFFAOYSA-N 456.521 1.297 50 10 JDGE C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(=O)Nc1ccc(SC#N)cc1 1866592927 OQNGNNHDPUZTFA-INIZCTEOSA-N 487.607 1.953 50 10 JDGE NNC(=O)C(F)(F)CCn1cnc(I)c1I 1984127942 GYUZUMRFSVILMY-UHFFFAOYSA-N 455.972 1.108 50 10 JDGE COC[C@](C)(CBr)NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000546156 YAVPKPIZVGTPAH-SJORKVTESA-N 465.341 1.730 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H](CBr)C1 2036932947 NAMKRQOEPQRWEN-AWEZNQCLSA-N 473.389 1.982 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2046024657 CBFSTBRTKKUDSK-RKVPGOIHSA-N 476.368 1.350 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1Cc2ccc(B(O)O)cc2C1)Cc1ccccc1 2268604054 WXNCUEPJCRYKBB-UHFFFAOYSA-N 453.348 1.236 50 10 JDGE C[C@H]1CN(C(=O)C(C#N)=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@H](C)O1 2318454638 CSGIQRZTXOZYFQ-GJZGRUSLSA-N 468.963 1.816 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)NCCc3ccc(O)cc3)CC2)cc1 2318454674 DKCJSUYRKPGELX-UHFFFAOYSA-N 454.552 1.773 50 10 JDGE NNC(=O)c1csc(Cn2cnc(I)c2I)n1 383110342 FDVOEZMKNRHXHW-UHFFFAOYSA-N 475.053 1.201 50 10 JDGE CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OCC(=O)NNC(=O)/C=C/c2ccccc2)O1 504051097 RHUOIDQSBWTIEJ-SJORRNEYSA-N 462.499 1.260 50 10 JDGE COC(=O)[C@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089132 OVGDTCZMTLFCSL-CQSZACIVSA-N 461.334 1.309 50 10 JDGE CN([C@@H]1COC[C@@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942097479 IMBFQKQKZSZXAM-JKSUJKDBSA-N 459.362 1.877 50 10 JDGE COc1ccc(NC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1 2268611800 BDQRMAANAQZARR-KRWDZBQOSA-N 458.320 1.814 50 10 JDGE CN(Cc1cccc(B(O)O)c1)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283986639 GLAMMQBVDSXRMN-FQEVSTJZSA-N 470.331 1.352 50 10 JDGE NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccc(Br)cc1 25386034 KBKFMWFNBAMYRU-INIZCTEOSA-N 477.315 1.771 50 10 JDGE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)NNC(=O)c3ccccc3)n2)cc1OC 59812894 RVIPRQYNLNIZBL-SRZZPIQSSA-N 455.500 1.821 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc(OC)c1O 263628285 CGUOTQONEPOPCO-UHFFFAOYSA-N 456.444 1.448 50 10 JDGE COc1ccc(CCN2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872962877 XZTITMUKDKJHPG-PMACEKPBSA-N 495.580 1.872 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)C[C@@H]1CCCO1 1926747182 WVLWXZMHRUOSDJ-KGLIPLIRSA-N 459.362 1.925 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC[C@@H](Br)CBr 1954120089 VMGIFDWPQSMJKW-JTQLQIEISA-N 468.167 1.751 50 10 JDGE CN1C[C@H](Br)[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2000546235 YTRYYHCVZXLPIF-VBQJREDUSA-N 462.341 1.008 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(I)sn1 2008521333 JMSXDHKUFAPXMA-UJURSFKZSA-N 451.105 1.038 50 10 JDGE COC1(CCNC(=O)c2scc(B(O)O)c2Cl)CN(C(=O)OCc2ccccc2)C1 2282465144 ROFWXBZCBUBEET-UHFFFAOYSA-N 452.725 1.239 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COC[C@H]1Br 2301117026 LJOPIYMSQXLYIO-CVEARBPZSA-N 459.362 1.925 50 10 JDGE CC(C)(C)OC(=O)NCc1cn(C2CN(CCOCCI)C2)nn1 2306804587 KFOZFEFHIBARIU-UHFFFAOYSA-N 451.309 1.611 50 10 JDGE COc1cc(C=C(C#N)C(=O)N2CCOCC2)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O 2314795744 MGERWPWNHNUKBF-UHFFFAOYSA-N 475.457 1.663 50 10 JDGE CCCNC(=O)CN1C(=O)C(=NNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21 1083889650 JSSICDYKCYGMOC-UHFFFAOYSA-N 454.483 1.719 50 10 JDGE Cc1nn(-c2ccccc2)c(N(C)C)c1C=NNc1nc(SCC(=O)NNC(=O)C(C)C)n[nH]1 1084324991 RFURXFCJXAEDPE-UHFFFAOYSA-N 484.590 1.706 50 10 JDGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 2179815427 LTJNFULWCYXUBK-IRXDYDNUSA-N 455.378 1.887 50 10 JDGE Cc1sc(CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c(B(O)O)c1C 2268601513 ACEFQJHBEUKCSR-UHFFFAOYSA-N 475.420 1.688 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc21 2268633727 DSWSMHLDGGHOKN-HRAATJIYSA-N 454.332 1.754 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B(O)O)c2C1 2268655758 PLOMFXOZEIPTOS-IIBYNOLFSA-N 454.332 1.707 50 10 JDGE Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2n1 20286960 PGOBSZZARCYAJT-UHFFFAOYSA-N 476.497 1.387 50 10 JDGE CCOCCCNC(=O)/C(C#N)=C\c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O 34990572 NCQVANOGMQMYBF-VLGSPTGOSA-N 467.526 1.488 50 10 JDGE CC(C)(CCl)C(=O)NC1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169898130 RSWNYWACMGQFGI-UHFFFAOYSA-N 450.879 1.563 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 254582436 MJVDVUXZTWTADF-NRFANRHFSA-N 489.553 1.918 50 10 JDGE CCOC(=O)NN=C(c1ccc(OS(C)(=O)=O)cc1)c1ccc(OS(C)(=O)=O)cc1 1088667309 BYKKPSIXZIQGDJ-UHFFFAOYSA-N 456.498 1.862 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)c1ccc(Cl)cc1F)c1ccc(S(C)(=O)=O)cc1 1532053518 SXRLLLVSZLUQFF-LJQANCHMSA-N 455.895 1.695 50 10 JDGE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCO1 2106767309 OMJAHBJBIIVCEE-GXTWGEPZSA-N 456.403 1.705 50 10 JDGE O=C(N[C@@H]1COCC[C@H]1Nc1ncc(Br)cc1B(O)O)OCc1ccccc1 2223665427 AZVBRJBOBDZSKP-HZPDHXFCSA-N 450.098 1.020 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC2(CCOCC2)[C@H]1CBr 2307564978 GWGOZTBDOOAFFY-OAHLLOKOSA-N 457.346 1.488 50 10 JDGE O=C(CCI)N1CCN(C(=O)CCI)CC1 4706001 DLRYCRSSSGQWBP-UHFFFAOYSA-N 450.058 1.307 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)cc2)cc1 1627447203 AYHPVQYNQQHUQJ-YWZLYKJASA-N 459.524 1.554 50 10 JDGE Cc1nc(I)c(I)n1Cc1ccc(C(=O)NN)cn1 2088988455 WAQUNWWBIOYHHX-UHFFFAOYSA-N 483.051 1.448 50 10 JDGE Cc1oc(B(O)O)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2267347107 LKWKHLOQAFPRFU-GOSISDBHSA-N 457.336 1.119 50 10 JDGE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(B(O)O)c1 2282360687 GLFWAJFBYOKMCD-QZTJIDSGSA-N 452.725 1.098 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2Br)cc1 17358664 UBHRLXRQYTULSK-UHFFFAOYSA-N 468.329 1.781 50 10 JDGE COC(=O)COc1ccc(C=NNC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 1083977378 MMPQYULTRJTJNH-OAHLLOKOSA-N 463.512 1.552 50 10 JDGE C=C[C@H](C(=O)NNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1294587830 NMQNMMWGMQHBLT-NRFANRHFSA-N 456.568 1.419 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)c4ccc(CS(C)(=O)=O)cc4)c(=O)c23)C1 1860770231 YQHDTIPWZVXBRD-CYBMUJFWSA-N 488.591 1.589 50 10 JDGE COc1ccc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1[N+](=O)[O-] 1860770914 BTMBJGBGTDYDPP-UHFFFAOYSA-N 457.468 1.715 50 10 JDGE COc1ccc(OCCN2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961885 NCXMYAQDNKBVRO-RBUKOAKNSA-N 481.553 1.699 50 10 JDGE C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)cc2C1=O 1873777395 HUTTUZWDFIIZAP-DZGCQCFKSA-N 465.466 1.146 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(B(O)O)s1)OCc1ccccc1 2243393159 NMLLGAHRCGPWOC-UHFFFAOYSA-N 456.351 1.075 50 10 JDGE C[C@]1(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)CCN(C(=O)OCc2ccccc2)C1 2267617726 PMVKCAMNQWXBCM-KRWDZBQOSA-N 458.754 1.161 50 10 JDGE COc1cc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2289570008 HXVJVSCDTVXKKR-HXUWFJFHSA-N 471.363 1.017 50 10 JDGE C[C@H](Cl)C(=O)N1CCC(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169887108 NYCQBVMZSLGNAZ-LBPRGKRZSA-N 450.879 1.706 50 10 JDGE COC(=O)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)cc1 254520986 QAZJWUUMBQOBHG-ZDUSSCGKSA-N 467.490 1.157 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCOC[C@H](CBr)C1 1948823671 QFYNSIBNQNKSQQ-CQSZACIVSA-N 459.362 1.736 50 10 JDGE CC1(C)OC[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1Br 2078733582 NSGAXYJERSTFAD-IYOUNJFTSA-N 477.352 1.871 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(B(O)O)cc2C#N)CC1 2364744194 VZYMCKXKJRBPPK-UHFFFAOYSA-N 474.367 1.532 50 10 JDGE COc1cc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1OC 13623387 MWWQSEJRQDWWPW-MRXNPFEDSA-N 486.550 1.397 50 10 JDGE O=C(CNC(=O)c1ccccn1)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254813570 UBFQTNMPWHWKMX-UHFFFAOYSA-N 457.446 1.607 50 10 JDGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccc(O)c(OCC)c2)nnn1-c1nonc1N 254869711 ZHFWZQVJWPPRLX-UHFFFAOYSA-N 471.522 1.723 50 10 JDGE O=C(N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21)c1ccco1 503898525 QZWDOZRWIMPRMN-UKDVXGDRSA-N 457.490 1.999 50 10 JDGE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)/C(C#N)=C\c3cnn(C)c3)cc2)CC1 1143465433 RRVQJZKMDVFIPX-JCMHNJIXSA-N 450.543 1.229 50 10 JDGE COc1ccc(OC)c(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 1860770834 YRRPRDPTYZHPNJ-LBPRGKRZSA-N 492.579 1.610 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@@H](I)C1 1904287898 WVKNPHDEPZFFIS-GFCCVEGCSA-N 462.309 1.902 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2040596369 MURNAZBIEQEWIS-ULQDDVLXSA-N 471.373 1.877 50 10 JDGE O=S(=O)(NCCn1cc(I)cn1)N1CCC(Br)CC1 2105890165 ZGUQZFUNZLLMAU-UHFFFAOYSA-N 463.139 1.181 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B(O)O)c(Cl)s1 2247794421 RJYZGTALXCUXLA-UHFFFAOYSA-N 477.776 1.229 50 10 JDGE COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623426 NRRRZCISUZNHPD-DXRVJIQQSA-N 452.536 1.779 50 10 JDGE COc1ccc(O)c(/C=N/NC(=O)CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2N)c1 58988304 HYENFJVZBMREKK-DNTJNYDQSA-N 488.442 1.432 50 10 JDGE CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C[S@@](=O)CC(=O)NNC(C)=O 586298378 QAUQYLRTXJJNCP-SSEXGKCCSA-N 451.526 1.446 50 10 JDGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 1083956745 LXJFKADRKUPEKG-IBGZPJMESA-N 468.510 1.848 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)C1 1872962885 YAXIWQUMCOBTTO-CVEARBPZSA-N 452.471 1.725 50 10 JDGE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2S(=O)(=O)N2CCC(Br)CC2)C1 2130056328 VTNWNURQNDEJBX-ZDUSSCGKSA-N 454.387 1.147 50 10 JDGE O=S(=O)(N1CCC(CBr)CC1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 2179820191 VFSHZMCVMWBDDM-RBUKOAKNSA-N 458.422 1.923 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(B(O)O)cc2Cl)CCN1C(=O)OC(C)(C)C 2267727140 HDHITIBZZOKPGG-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE N#CC(=C[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)N1CCN(c2ccccc2)CC1 2313565367 YSLUQOZKHCHTNN-FQEVSTJZSA-N 459.531 1.849 50 10 JDGE C/C(=N/NC(=O)Cc1nc2ccccc2n1C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 33450304 UAZCSIHPHYSTND-OYKKKHCWSA-N 457.512 1.409 50 10 JDGE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(S(=O)(=O)N2CCC(Br)CC2)C1 2163051515 UPYGFTOEGHBEEK-OAHLLOKOSA-N 470.430 1.784 50 10 JDGE Cc1sc(B(O)O)c(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1C 2267444254 SJJKBMHPXWECSO-UHFFFAOYSA-N 474.388 1.669 50 10 JDGE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)N1CCC(Br)CC1)CCO2 2272834189 RIUBASKPXYCNSC-UHFFFAOYSA-N 454.387 1.412 50 10 JDGE COc1cc(B(O)O)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2282247991 NAGVOSANCSYOGW-UHFFFAOYSA-N 479.339 1.220 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)N2Cc3ccc(B(O)O)cc3C2)C1 2284136323 AFPUJIZVURHVPD-UHFFFAOYSA-N 466.343 1.663 50 10 JDGE O=C(N[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2B(O)O)C1)OCc1ccccc1 2296004162 VHSBMQYNXROJMC-HNNXBMFYSA-N 452.725 1.099 50 10 JDGE N#CC(=Cc1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2296846313 AIEALMAVFQZLCM-UHFFFAOYSA-N 470.533 1.662 50 10 JDGE CCOC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)/C=C\c2ccc(OC)cc2)c2ccccc21 254316314 AIRWXFMKEHIZOB-VKTPNMGZSA-N 464.478 1.255 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCC2CCN(C)CC2)cc1 725728079 FONHBQSUWZVDEM-CPNJWEJPSA-N 450.543 1.799 50 10 JDGE CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728372070 IMNKCSAHRXMJDW-IAQYHMDHSA-N 464.371 1.720 50 10 JDGE Nn1c(SCC(=O)NN=Cc2ccc(O)cc2O)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1084116100 UPMRYGRECFWPKY-UHFFFAOYSA-N 474.415 1.129 50 10 JDGE C#C[C@H](NC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)C1CCOCC1 1674591440 UCFBOGNPNPOKBG-NRFANRHFSA-N 459.510 1.761 50 10 JDGE CCN(CC)CCCCN1C[C@@H](C(=O)N2CCC[C@@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961030 HOZMLBGFXZRXIK-UXHICEINSA-N 458.607 1.734 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2nscc2B(O)O)CCN(Cc2ccccc2)CC1 2266853897 DQCSFHRSGJTJDW-UHFFFAOYSA-N 474.392 1.112 50 10 JDGE COc1ccc(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1 2283969499 QJPRTIWYCQJIGA-IBGZPJMESA-N 472.303 1.340 50 10 JDGE CC(C)(C)OC(=O)NC[C@]1(C)CN(c2ncc(Br)cc2B(O)O)CC1(F)F 2379731495 GEENEFVCZIUJOL-OAHLLOKOSA-N 450.089 1.510 50 10 JDGE COc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)ccc1OCc1cc(C)ccc1C 169892476 FKJZMJOGIPZVTN-WYMPLXKRSA-N 451.483 1.746 50 10 JDGE O=C(NCCS(=O)(=O)N1CCSCC1)NNC(=O)c1ccccc1OCc1ccc(F)cc1 730672762 LGZZSZAKYVOTLF-UHFFFAOYSA-N 496.586 1.727 50 10 JDGE CC(=O)N1CCN(C(=O)CCNC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 1677882288 RIBHBFXGQJTQPG-UHFFFAOYSA-N 452.515 1.770 50 10 JDGE COc1ccc(C(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1N1CCN(C)CC1 1867224624 VWGXIAXJEXOALJ-LJQANCHMSA-N 469.567 1.750 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2[C@H](CBr)CO[C@H]2C1 2057886463 ZTRBDJSIGIWYMD-XYPHTWIQSA-N 471.373 1.734 50 10 JDGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 2313617159 KKAICOUGHDFGHI-UHFFFAOYSA-N 460.468 1.726 50 10 JDGE CCN1C(=O)/C(=N/NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 102011374 CHXSOWOHBXCTIK-ZDFIBZPNSA-N 450.524 1.865 50 10 JDGE O=C(CNC(=O)c1ccco1)NNC(=O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 727479352 JHBQGGRNTOUGMT-SFHVURJKSA-N 459.890 1.852 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1sccc1B(O)O 2256620740 MDADEOYUNBUKHG-HNAYVOBHSA-N 462.377 1.885 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B(O)O 2268631669 AZGHOGIVIRYVAU-NRFANRHFSA-N 455.364 1.350 50 10 JDGE C#CCCCC(=O)NNC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1635718533 KXFOHEUCCWOJBR-NVXWUHKLSA-N 455.374 1.993 50 10 JDGE NNC(=O)[C@@H]1CC[C@@H](Cn2cnc(I)c2I)C1 2010833120 OUIGTUQRIJRQPY-RNFRBKRXSA-N 460.057 1.499 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCCN(CCBr)CC1 2029232527 JNHVXPFTDADVQL-UHFFFAOYSA-N 472.405 1.795 50 10 JDGE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)N2CCC(Br)CC2)C1 2044691741 SJNGZANPYIHOIP-XMMPIXPASA-N 460.416 1.808 50 10 JDGE C[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1nscc1B(O)O 2256622629 JULXWTSVQATZNH-YOEHRIQHSA-N 462.381 1.025 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268698964 CZXSZTLRAOKBLR-GOSISDBHSA-N 458.320 1.814 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(Cl)c(B(O)O)n2)CCN(Cc2ccccc2)C1 2268724387 KKFBQKAPOXUFIN-QFIPXVFZSA-N 474.754 1.523 50 10 JDGE Cn1ncc(C(=O)N2C[C@@H]3OC[C@H](CBr)O[C@@H]3C2)c1I 2279927871 GHGCKXORTDPWRL-UJNFCWOMSA-N 456.078 1.028 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1C[C@@H](Br)[C@H]2COC[C@H]21 2308664024 MURNAZBIEQEWIS-BRWVUGGUSA-N 471.373 1.877 50 10 JDGE COc1cc(C(=O)NC(=S)NNC(=O)CCC(=O)Nc2ccccc2)cc(OC)c1OC 12569856 SMPAFZPNTOWJLI-UHFFFAOYSA-N 460.512 1.767 50 10 JDGE Cc1cc(OCC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)ccc1Br 13629384 YLGPFQZLZONDBX-ZDUSSCGKSA-N 450.289 1.925 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3c(F)cc(F)cc3F)c2)CC1 1179823683 XHPOJLNKRUAFGX-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE C[C@@H]1CO[C@@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046029966 UZFRSAJTTFIHMR-FHSNZYRGSA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)NC[C@]12CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]1CCO2 2175190807 TWSKTQANVWKMKO-GUYCJALGSA-N 468.414 1.706 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)Nc1ncc(Br)cc1B(O)O 2212615561 QZNQBNUHLUEHAI-UHFFFAOYSA-N 489.176 1.354 50 10 JDGE CO[C@H]1[C@@H](CBr)N(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1OC 2218190293 PSBLICFQGADFND-OAGGEKHMSA-N 475.361 1.112 50 10 JDGE O=C(NCCNS(=O)(=O)c1ccc(F)c(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2247952887 PGMOUAGMDSLRQE-UHFFFAOYSA-N 484.314 1.323 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)NCC1CC(Br)C1)NC(=O)OCc1ccccc1 2249433367 LOHBOWLYQLVCLY-NRXISQOPSA-N 463.350 1.547 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2sc(B(O)O)cc2C1 2268680161 KAIWACBAXITUBO-SFHVURJKSA-N 474.388 1.813 50 10 JDGE O=C(N[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1)OCc1ccccc1 2278569116 ZJKOTZQGFNTYNT-CYBMUJFWSA-N 458.754 1.161 50 10 JDGE COCCN(/C=C(/C#N)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 253321795 WFGBIHSGFJVKRS-KFZCZUEYSA-N 451.545 1.424 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 254582437 MJVDVUXZTWTADF-OAQYLSRUSA-N 489.553 1.918 50 10 JDGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1cccc(B(O)O)c1 2025202737 DVURRCOGUHWFTA-QGZVFWFLSA-N 458.323 1.952 50 10 JDGE Cc1nc(I)c(I)n1CCC[C@H]1C[C@@H]1C(=O)NN 2315769108 GNTQUNNETHTTMJ-YUMQZZPRSA-N 474.084 1.807 50 10 JDGE COc1cccc(-c2c(C(=O)NN=Cc3cc(OC)c(OC)c(OC)c3)nnn2-c2nonc2N)c1 254497990 HVALJIYJBOZDQD-UHFFFAOYSA-N 494.468 1.698 50 10 JDGE O=C(COC(=O)c1cccc(OCc2cscn2)c1)NNC(=O)[C@@H]1COc2ccccc2O1 754088844 VQZBOFGNKKILNL-IBGZPJMESA-N 469.475 1.866 50 10 JDGE C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CO)c1 1161080663 QWFQFTUOQJGAQN-UHFFFAOYSA-N 453.904 1.483 50 10 JDGE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1OC 1872963077 YWJJXUDYQFHLDO-SJORKVTESA-N 467.526 1.834 50 10 JDGE O=S(=O)(N1CCN(CCOCCBr)CC1)N1CC(OCc2ccccc2)C1 2161942323 YMISJIBDWLBNTC-UHFFFAOYSA-N 462.410 1.161 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256665857 OJVSVXWBSRJKPU-PBHICJAKSA-N 463.365 1.452 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2csc(B(O)O)c2)CCN(Cc2ccccc2)CC1 2266888907 ZYHJGKPAHIZUIK-UHFFFAOYSA-N 473.404 1.717 50 10 JDGE O=C(NCCCCCNS(=O)(=O)c1cc(Cl)c(B(O)O)s1)OCc1ccccc1 2267625486 QOYVUALTYQOFLT-UHFFFAOYSA-N 460.770 1.456 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2268655302 KEIJJAZKXGJZHL-ZRGWGRIASA-N 477.392 1.841 50 10 JDGE COc1cc(B(O)O)c(C(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)cc1OC 2282441145 AXPKENKJKWKEDU-UHFFFAOYSA-N 470.331 1.645 50 10 JDGE CC(=O)N1CC[C@H](NC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c2ccccc21 1312304890 NIFOEAZFHFXVGJ-INIZCTEOSA-N 458.544 1.730 50 10 JDGE C#C[C@H](CO)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1636623193 OCTJHLASPOMGAF-RKCSUWQLSA-N 456.300 1.205 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Br)CC1 2278338323 VLSJRSQNAFBSGI-KGLIPLIRSA-N 456.403 1.657 50 10 JDGE N#CC(=CN1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(S(=O)(=O)O)c1 2324210024 INYJZRKZFMRKRT-UHFFFAOYSA-N 476.536 1.286 50 10 JDGE COc1ccc(C(=O)NNC(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 9180221 BAZGETGYTXXJEN-UHFFFAOYSA-N 464.474 1.944 50 10 JDGE CCOC(=O)C1=NO[C@@H](Cc2c(C=NNC(=O)c3ccncc3)c(OC)c3c(c2OC)OCO3)C1 254853126 DHXPRMSENHDWDI-AWEZNQCLSA-N 484.465 1.842 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2cccc(Br)c2)n1)NNC(=O)C(F)(F)F 1084025934 JHUUOGHKXXPNEH-UHFFFAOYSA-N 466.243 1.815 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1 1873777351 GGQZFVGWGTWMII-QGZVFWFLSA-N 454.487 1.822 50 10 JDGE O=C(NC[C@@H](NC(=O)c1scc(B(O)O)c1Cl)C(F)(F)F)OCc1ccccc1 2266985134 QJUXAZINOSPFCV-LLVKDONJSA-N 450.631 1.668 50 10 JDGE C[C@@]1(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)CCN(C(=O)OCc2ccccc2)C1 2267617727 PMVKCAMNQWXBCM-QGZVFWFLSA-N 458.754 1.161 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCCc2cccc(B(O)O)c21 2268712353 RDUCXSOQERTUBL-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N[C@@]1(C)CCCN(C(=O)OCc2ccccc2)C1 2282735513 BNEMHLCZWHHGPN-IBGZPJMESA-N 452.363 1.206 50 10 JDGE O=S1(=O)CCC(S(=O)(=O)N[C@@H](CCBr)COCc2ccccc2)CC1 2320354062 GFAFYAGJNMSTNJ-HNNXBMFYSA-N 454.408 1.853 50 10 JDGE CC(C)N(CCN)c1nc(N)c(C(=O)/N=C/NNC(=O)c2ccc(N=[N+]=[N-])cc2O)nc1Cl 33903572 PSGDLBVKPATNTL-UHFFFAOYSA-N 475.901 1.636 50 10 JDGE CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C/NNC(C)=O)c3ccccc3C2=O)c1 38184039 XCAAZDCSACBLEB-XSFVSMFZSA-N 456.524 1.886 50 10 JDGE O=C(CCCl)NC1CCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169898170 AJHNTAVDNFXLIB-UHFFFAOYSA-N 450.879 1.707 50 10 JDGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1nn(CCC)c(=O)c2ccccc12 1135538329 QIWXYDRVPVEOTC-KRWDZBQOSA-N 455.515 1.874 50 10 JDGE CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1463738670 VRSOBFCYMBAFAY-INIZCTEOSA-N 450.542 1.711 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COCC[C@@H]1Br 2000546300 ZICXZLDAOPPOPA-ZQIUZPCESA-N 463.325 1.483 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(B(O)O)ccc2Cl)C1 2267349972 BQVSKWWGPZSQPQ-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE C[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1nscc1B(O)O 2268633109 QGQGRLAYQIILFJ-IVZQSRNASA-N 474.392 1.170 50 10 JDGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268637763 FPBRUJBFSAWWLX-OAQYLSRUSA-N 455.364 1.947 50 10 JDGE COc1ccc(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1 2268639055 MADZSKXZXPXTKN-HXUWFJFHSA-N 457.336 1.339 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2ccc(B(O)O)cc21 2284067264 IVDIDQASAWYZBC-NRFANRHFSA-N 467.375 1.671 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 14027529 PYUBSHANZWJUJO-UHFFFAOYSA-N 491.522 1.604 50 10 JDGE CC(C)OC(=O)C1=c2s/c(=C/c3ccc(O)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(O)cc1 97414809 UXZSHVIFAQOUGJ-PYIVIEQSSA-N 475.526 1.700 50 10 JDGE CCOc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)ccc1O 254611250 VWYLJVQWUFWBSH-UHFFFAOYSA-N 479.413 1.676 50 10 JDGE O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 728209412 CSHGAVQLEQZMBS-KRWDZBQOSA-N 484.625 1.875 50 10 JDGE C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Br)ccc2O)cc1 1610976306 CJEZRDMVTZZSLX-UHFFFAOYSA-N 452.286 1.141 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770503 KZNXKBFDFXVBNR-GFCCVEGCSA-N 489.579 1.866 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1CCOC[C@H]1Br 1942090943 ZXFYWVRJEADWNJ-HZPDHXFCSA-N 459.362 1.925 50 10 JDGE COC(=O)c1ccccc1NC(=O)C(C#N)=CN1CCN(S(=O)(=O)c2ccccc2)CC1 2325196319 SYNWFXAPTOVSGZ-UHFFFAOYSA-N 454.508 1.826 50 10 JDGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCc2cccnc2)cc1)NCc1ccccc1 1083928678 NVJMKGSXDZBTJP-UHFFFAOYSA-N 459.506 1.933 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(C)C 1587356904 DVDNRTAEJIWIAF-IBGZPJMESA-N 452.558 1.861 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1 1633365509 OJCAAWHVZQLYMM-UHFFFAOYSA-N 455.496 1.205 50 10 JDGE CCCCCC[C@@H]1[C@H]([C@H](O)C(=O)[C@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080454122 BHIZEFQUFOOKIR-XCZZHNTPSA-N 490.549 1.872 50 10 JDGE COCC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CCC(Br)CC2)C1 2106301676 JBGQFWKGSDKYOM-UHFFFAOYSA-N 456.403 1.752 50 10 JDGE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NS(=O)(=O)c1ccc(CBr)cc1 2183097340 YXTLNBXEYCJGNQ-UHFFFAOYSA-N 460.354 1.957 50 10 JDGE Cc1nc(I)c(I)n1C[C@@H]1CC[C@H]1C(=O)NN 2215776149 LCIJDCDPWMIMHT-NKWVEPMBSA-N 460.057 1.417 50 10 JDGE O=C(NOCCCNC(=O)c1ccoc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243407745 YWYOROHXBDYJIF-UHFFFAOYSA-N 450.256 1.550 50 10 JDGE Cc1csc(CN(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1B(O)O 2268678142 YEORKTHUIKCDPD-UHFFFAOYSA-N 475.420 1.722 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CC2(CCOCC2)[C@@H]1CBr 2307564977 GWGOZTBDOOAFFY-HNNXBMFYSA-N 457.346 1.488 50 10 JDGE Cc1ccc(C(=O)NNC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 9362720 ZZKXUZLPPZYJBE-UHFFFAOYSA-N 459.524 1.400 50 10 JDGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C\N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 217202762 UPNFPMYBRZZQDH-JZJYNLBNSA-N 474.583 1.511 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)c1O 254385359 LNEPLNFSGFNGPO-LBPRGKRZSA-N 455.479 1.085 50 10 JDGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2C(N)=O)cc1 254519842 LBIJSAWQOMZVTN-UHFFFAOYSA-N 492.525 1.429 50 10 JDGE CSc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 254626339 FKEUDAGZSKNKCU-UHFFFAOYSA-N 471.532 1.139 50 10 JDGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1 1084067088 TZBOBGRRBXOYCN-LJQANCHMSA-N 484.509 1.467 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@@]2(CCOC2)C1 2163058592 LWXKXTWGFNDTLR-YOEHRIQHSA-N 468.414 1.849 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cc(B(O)O)cs2)CCN(Cc2ccccc2)C1 2256613606 JRUNFDNKXDQCHY-JOCHJYFZSA-N 459.377 1.214 50 10 JDGE CC1(C)S[C@@H]2[C@H](NC(=O)C(C#N)=Cc3cccc(Br)c3)C(=O)N2[C@H]1C(=O)O 2329693220 WJXCHGRXCXMTIE-DVOMOZLQSA-N 450.314 1.988 50 10 JDGE COc1ccccc1C(=O)NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] 40658526 ZYCLQAQZMLQEAW-UHFFFAOYSA-N 450.459 1.872 50 10 JDGE CC(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 751282198 ZSWWKRYLRLZXJY-QGZVFWFLSA-N 482.971 1.823 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC1(CBr)CCOCC1 1942094220 BGLLYHZXEMWZLM-UHFFFAOYSA-N 459.362 1.926 50 10 JDGE CN(C[C@]1(Oc2nccc(B(O)O)c2F)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2231661466 PVRBPAMSUDJWQV-HSZRJFAPSA-N 459.327 1.791 50 10 JDGE O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C12C3C4C1C1C2C3C41C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3669654 DJHZUTDBJNPTMU-ZZULHHKVSA-N 486.444 1.841 50 10 JDGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 13623557 NAUZMYPFHWAAAR-GOSISDBHSA-N 470.551 1.396 50 10 JDGE COC(=O)[C@H](I)CNC(=O)c1cc(I)ccc1O 234593840 XIJIZZBAYCELQK-MRVPVSSYSA-N 475.020 1.703 50 10 JDGE Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2cc3c(cc2Br)OCO3)cc1 254505208 XPJYZQWKJFAXRD-UHFFFAOYSA-N 454.302 1.915 50 10 JDGE CCn1nc(C)c(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c1C 254735995 CDLCMEBVALLRRH-UHFFFAOYSA-N 465.434 1.405 50 10 JDGE Cn1nc(Br)c2c(=O)n(CC(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cnc21 727098507 AYRABBOJLXHOAP-UHFFFAOYSA-N 461.320 1.651 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)NC[C@H]2CCCO2)cc1)NCCc1ccccc1 1084168379 CFMVGTPEPKROSP-OAQYLSRUSA-N 452.511 1.170 50 10 JDGE CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](NS(=O)(=O)CI)C1 1983327797 QFKYEOPKMTVRIO-JTQLQIEISA-N 456.306 1.314 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(Cl)c2B(O)O)CCN1C(=O)OC(C)(C)C 2267912717 GTMJIJMXONPYBX-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE C[C@H](c1cc(B(O)O)cs1)N(C)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268603741 UBFIKSDBKDYAEW-QGZVFWFLSA-N 475.420 1.974 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1cccc(B(O)O)c1F 2268645112 TVBDEKZRRISOIX-KRWDZBQOSA-N 460.267 1.471 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cc(F)c(F)cc1B(O)O 2326792813 PYXLYFPWIYGHPT-GOSISDBHSA-N 450.247 1.693 50 10 JDGE COc1cc2c(C=NNC(=O)Cn3c(O)nc4ccccc4c3=O)c(C(=O)O)n(C)c2cc1OC 2328792505 NEJQJLYTMYGIIX-UHFFFAOYSA-N 479.449 1.460 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341211287 UVENVFPYKFJVRA-SFHVURJKSA-N 463.290 1.608 50 10 JDGE CCOC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OC)c1 254293471 WFBHUSZOCLORBA-OAQYLSRUSA-N 489.553 1.918 50 10 JDGE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 728179022 HWCHVHYEIWOYFD-INIZCTEOSA-N 471.535 1.597 50 10 JDGE C=CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1636883265 NZFGPAOCQVYQPD-QFBILLFUSA-N 450.561 1.786 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(S(=O)(=O)CI)CC2)C1 1983326732 DITXGRVNLNKKDL-LBPRGKRZSA-N 459.350 1.336 50 10 JDGE CCCCCC[C@@H]1[C@H]([C@@H](O)C(=O)[C@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080454120 BHIZEFQUFOOKIR-PTLRYVDYSA-N 490.549 1.872 50 10 JDGE CCc1ccccc1OCC(=O)NNC(=O)CCc1nc(=O)c2cnn(-c3ccccc3)c2[nH]1 16516991 QNEWAMIRLSNCNZ-UHFFFAOYSA-N 460.494 1.830 50 10 JDGE CN(CC(=O)NCCCOCCOCCOCCCNC(=O)CCl)C(=O)OC(C)(C)C 65739200 PLQCYJMLROEZNE-UHFFFAOYSA-N 467.991 1.155 50 10 JDGE in-vitro COC(=O)[C@H](I)CNS(=O)(=O)c1cc(Br)cs1 310420194 YTCPQRQHKMWQOZ-ZCFIWIBFSA-N 454.105 1.766 50 10 JDGE CN(C)c1cccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961578 MCEGJGUJMDINDO-QZTJIDSGSA-N 450.543 1.882 50 10 JDGE C[C@H](Br)CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2050838893 IMZXSGINBUTUJO-HNNXBMFYSA-N 472.405 1.794 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCOC[C@H]1CBr 2072950811 IDXOCQXOLMIHMF-MRAWALMUSA-N 477.352 1.730 50 10 JDGE Cc1nc(I)c(I)n1Cc1ccccc1CC(=O)NN 2145233426 FQJAVCWXVLJZIZ-UHFFFAOYSA-N 496.090 1.981 50 10 JDGE O=C(NOCCCN=c1[nH]ccc(B(O)O)c1F)OCC1c2ccccc2-c2ccccc21 2212604030 LERAZYKRYMHQSH-UHFFFAOYSA-N 451.263 1.595 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2c(cccc2B(O)O)C1)Cc1ccccc1 2284018210 RXYGNJSZYUEGES-UHFFFAOYSA-N 467.375 1.278 50 10 JDGE CN(CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1)S(=O)(=O)C=Cc1ccccc1 2297404739 INRWVJVHNYRXAU-UHFFFAOYSA-N 457.487 1.705 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2366901569 ALZLLNMNSMJRIG-KRWDZBQOSA-N 478.257 1.610 50 10 JDGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c2ccccc21 10737019 FZLHQTHIDFLWNP-MRXNPFEDSA-N 456.524 1.710 50 10 JDGE COc1ccc(C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)cc1Br 13985453 OADVYAIDLUAIML-UHFFFAOYSA-N 471.377 1.790 50 10 JDGE CC(=O)c1cc(Br)ccc1OCC(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 1646043394 BBVXPHWXQVGGSC-INIZCTEOSA-N 454.321 1.431 50 10 JDGE COC[C@](C)(CBr)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046031151 CWXOXXVUDRCNSW-QZTJIDSGSA-N 479.368 1.978 50 10 JDGE Cc1sc(B(O)O)cc1C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2272030969 CUCZBFZVTVSMKI-UHFFFAOYSA-N 483.396 1.323 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccccc2B(O)O)CCN(Cc2ccccc2)CC1 2284055020 MYVDGKLEMFOXMW-UHFFFAOYSA-N 467.375 1.542 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)NCCc1c(F)cccc1B(O)O 2289662811 DXSCYPWDMYBPQE-GOSISDBHSA-N 474.338 1.664 50 10 JDGE N#CC(=CN1CCN(CCO)CC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 2324605299 ACUKATQYZYSSDD-UHFFFAOYSA-N 459.594 1.938 50 10 JDGE C/C(=N\NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N)c1ccncc1 58991542 MFDJVIDKLUCOSP-KEBDBYFISA-N 457.432 1.503 50 10 JDGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@H]1CCS(=O)(=O)C1 728372071 IMNKCSAHRXMJDW-NHYWBVRUSA-N 464.371 1.720 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)CC2)c1 748285932 WJRUFHLXQQMTGM-OAQYLSRUSA-N 471.535 1.441 50 10 JDGE C/C(=C/CO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@](C)(CO)CCC[C@@]12C 1615257435 IQHRODLFQNPIDT-JFNMJUDOSA-N 468.587 1.234 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)OCC12CC2 2127556863 YPBVFAOGHZMQBV-UGSOOPFHSA-N 489.363 1.969 50 10 JDGE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ncc(B(O)O)cn2)cc1I 2235617744 BJGVBIBXKHXTFX-UHFFFAOYSA-N 484.059 1.360 50 10 JDGE O=C(NCC(=O)N1CCc2cccc(B(O)O)c2C1)OCC1c2ccccc2-c2ccccc21 2248419520 BVZFRFCXIODCLH-UHFFFAOYSA-N 456.307 1.790 50 10 JDGE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C(C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2296718484 LLOXWYUYKBVEIB-INIZCTEOSA-N 480.502 1.706 50 10 JDGE C[C@@H](CBr)N1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2050234500 VWGZTWIQIJAYBO-HNNXBMFYSA-N 472.405 1.794 50 10 JDGE OB(O)c1ccc(I)c(I)c1OC(F)(F)F 2060040349 PZYDXPLVFIKMGP-UHFFFAOYSA-N 457.720 1.474 50 10 JDGE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)CO1 2106305711 RCOIZSBMPUEUEP-JSGCOSHPSA-N 456.403 1.610 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2CCN(S(=O)(=O)CI)CC2)C1 2213737911 LAGZBKRHYXJLGO-STQMWFEESA-N 473.377 1.772 50 10 JDGE CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2248405579 VFLQCRCXMCAFAB-BFUOFWGJSA-N 480.355 1.532 50 10 JDGE Cc1cccn2c(=O)c(/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(N3CCC(C)CC3)nc12 2200686 WISICRYVALTLSE-XUDLPTGHSA-N 469.567 1.450 50 10 JDGE NC(=O)C1CCN(c2ccc(NC(=O)CCCCl)cc2S(=O)(=O)N2CCOCC2)CC1 96247491 AWVPGMVIFGFWJO-UHFFFAOYSA-N 472.995 1.367 50 10 JDGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 751282194 ZSWWKRYLRLZXJY-KRWDZBQOSA-N 482.971 1.823 50 10 JDGE CCN1CCC(NC(=O)/C(C#N)=C\c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)CC1 920851124 AYRWJUBHVZAJLV-JXAWBTAJSA-N 450.543 1.942 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CI)CC12CCOCC2 1983330580 QZVKVBAFSBLSKE-NSHDSACASA-N 460.334 1.714 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H](CBr)OCC12CC2 2012212851 UZLVJWDRDAXZBB-ZDUSSCGKSA-N 457.346 1.631 50 10 JDGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1CBr 2179817447 PMDFYJAFWMKMDA-SJORKVTESA-N 455.378 1.887 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCc2ccc(B(O)O)cc2)C1 2205525496 XLZZFUUVPZDLPE-VWLOTQADSA-N 468.359 1.827 50 10 JDGE Cc1cc(S(=O)(=O)N(Cc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)ccc1B(O)O 2255754984 IWIASANIPTWURG-UHFFFAOYSA-N 460.361 1.485 50 10 JDGE Cc1nc(NC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ncc1B(O)O 2256638903 KRRZAASHPPAVMC-JOCHJYFZSA-N 474.326 1.967 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2268648380 YKZSSBBMTNQIPY-FOIQADDNSA-N 458.320 1.812 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNS(=O)(=O)N2CCC(Br)CC2)C1 2288526175 AUHZQOUULFGJRZ-UHFFFAOYSA-N 478.356 1.297 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)N2CCC(N3CCCC3=O)CC2)cc1 729444965 CSFFFQNVINTFSB-XDJHFCHBSA-N 490.564 1.954 50 10 JDGE CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)NC(=O)CO2 744562936 CTVSBIFLSAAPEO-UHFFFAOYSA-N 458.496 1.192 50 10 JDGE C#CCN1CCC[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1135555579 BEZVCIQBPPPCFI-FQEVSTJZSA-N 456.524 1.355 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3cc(Cl)nc(C)n3)cc2)CC1 1626767629 FYSVWBAQXBWVCO-UHFFFAOYSA-N 452.924 1.048 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2330880639 NLYHMPMUDBCXOB-BMYCAMMWSA-N 489.363 1.682 50 10 JDGE CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 38599484 PXMZUZLKVZKKHK-RVKKMQEKSA-N 494.705 1.198 50 10 JDGE in-vitro NNC(=O)c1csc(Cn2cnc(I)c2I)c1 711235736 KFIPSTWINJLZKC-UHFFFAOYSA-N 474.065 1.806 50 10 JDGE CN(C)N=Cc1ccc(P(=O)(c2ccc(C=NN(C)C)o2)c2ccc(C=NN(C)C)o2)o1 886010539 MDPCZAANUMNTOT-UHFFFAOYSA-N 458.459 1.792 50 10 JDGE COC(=O)COc1ccc(C=NNC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 1083977377 MMPQYULTRJTJNH-HNNXBMFYSA-N 463.512 1.552 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)N3CCN(C)CC3)cc2)cc1 1626126432 YXUBQPYFIIPOBE-UHFFFAOYSA-N 459.528 1.292 50 10 JDGE O=C(CNC(=O)c1ccccc1)NNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 1860770973 DWOMDMXJFCKARF-UHFFFAOYSA-N 461.503 1.702 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1cc(I)ccc1O 2121336240 FQFTUGQQIHJKJW-IUCAKERBSA-N 460.087 1.287 50 10 JDGE O=C(NOCCCNC(=O)c1cncc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2247770691 QHVMYJXBXMHSAO-UHFFFAOYSA-N 461.283 1.352 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)NCc2sccc2B(O)O)C1 2256735059 HTMWHNFSOHQIQA-UHFFFAOYSA-N 460.361 1.498 50 10 JDGE COc1ccc(B(O)O)cc1S(=O)(=O)NCCN(OCc1ccccc1)C(=O)OC(C)(C)C 2267624916 HAASAYNPJVLCLC-UHFFFAOYSA-N 480.348 1.022 50 10 JDGE C[C@H](c1cscc1B(O)O)N(C)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268651850 QGARFCMXENDXRD-OXQOHEQNSA-N 475.420 1.973 50 10 JDGE CCNNC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@H](O)[C@H]1CO)OCO3 4804653 CPTIBDHUFVHUJK-NZYDNVMFSA-N 474.510 1.485 50 10 JDGE biogenic CC(=O)N1CCc2cc(NC(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)ccc21 1464952838 QKWOGHVWBZLMBA-UHFFFAOYSA-N 450.543 1.961 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNc1ncc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 1640198618 SVNHUGPIWJHILM-MRXNPFEDSA-N 456.322 1.137 50 10 JDGE C[C@@H](C(=O)O)N1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)cc2C1=O 1873777398 HUTTUZWDFIIZAP-ZFWWWQNUSA-N 465.466 1.146 50 10 JDGE C[P@]1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1983926768 HNXPMIHXCSYYGK-JXQWACKNSA-N 463.290 1.731 50 10 JDGE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)N1CCC(Br)CC1 2106297709 HKXSWTLXLKYBRF-BFHYXJOUSA-N 456.403 1.751 50 10 JDGE O=C(NC[C@]1(C2CC2)CCN(S(=O)(=O)N2CCC(Br)CC2)C1)C(F)(F)F 2163052463 DORIQXXPCQJBRU-CQSZACIVSA-N 462.332 1.871 50 10 JDGE O=S(=O)(c1n[nH]cc1CBr)N1CC[C@H]2COC[C@@H](C1)N2Cc1ccccc1 2204527883 XNEKVHADHNHFBP-DLBZAZTESA-N 455.378 1.969 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1F)Cc1ccccc1 2255755236 MIIUSADQYNGUAU-UHFFFAOYSA-N 456.348 1.828 50 10 JDGE Cc1cc(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)ccc1B(O)O 2268712411 RSCCWNVWOVRAJH-DEOSSOPVSA-N 453.348 1.783 50 10 JDGE COc1ccc(B(O)O)c(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1 2282320129 DLCBQZNIXSKKBK-UHFFFAOYSA-N 460.339 1.576 50 10 JDGE COC(=O)C1=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H](c2cccc(OC)c2)C(C#N)=C1N 1053064 UBYOGLLSXWHRJE-RSCAPRFBSA-N 475.526 1.419 50 10 JDGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623578 CRUBGEANOIHWOS-SFHVURJKSA-N 484.578 1.786 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Cl)[C@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 106385701 YRXSTYGMBJFQAY-OBVSXPTNSA-N 453.831 1.041 50 10 JDGE COc1cc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)ccc1O 254620400 QWTSRFQMPRVEFH-UHFFFAOYSA-N 478.425 1.496 50 10 JDGE CC(=O)N1CCN(c2cccc(NC(=O)NNC(=O)[C@H]3COc4ccccc4O3)c2C)C1=O 1219058958 BAHNTQIGMBPCOY-LJQANCHMSA-N 453.455 1.776 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@H]1CCO 2106775666 ZKQMRIGWEROOTG-CQSZACIVSA-N 456.403 1.394 50 10 JDGE Cc1oc(B(O)O)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2267347108 LKWKHLOQAFPRFU-SFHVURJKSA-N 457.336 1.119 50 10 JDGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccccc1I 13997306 UKSLFFLGWYQPSK-UHFFFAOYSA-N 463.297 1.660 50 10 JDGE O=C(CBr)N[C@@H]1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 253671806 LLJPZWYDUXHCIX-NLJLNQJYSA-N 463.372 1.836 50 10 JDGE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 728179023 HWCHVHYEIWOYFD-MRXNPFEDSA-N 471.535 1.597 50 10 JDGE CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c1 1445566643 QQKABQKKEKPRDT-HXUWFJFHSA-N 452.555 1.930 50 10 JDGE C#CCN(CC(=O)NNC(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1)C(=O)OC(C)(C)C 1637726557 WULQXXXOGGHQNN-UHFFFAOYSA-N 457.487 1.725 50 10 JDGE COc1ccc(OCC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1865851686 GFIWYQQFHFSYCQ-ZDUSSCGKSA-N 456.524 1.818 50 10 JDGE C[C@@H](CBr)N1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2113067056 VZQGXRAPQINXQF-IFXJQAMLSA-N 490.395 1.742 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1cc(I)ccc1O 2121336241 FQFTUGQQIHJKJW-RKDXNWHRSA-N 460.087 1.287 50 10 JDGE Cc1csc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2256681878 RMRHGWRCYXFOEW-QGZVFWFLSA-N 462.377 1.853 50 10 JDGE COCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13623562 RGROFPWBHVCYPI-KRWDZBQOSA-N 470.551 1.396 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccc2c(c1)OCO2 254594256 AMBMVQLWNPUAFT-GFCCVEGCSA-N 467.490 1.490 50 10 JDGE COc1ccc(C=NNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 254837763 QDZPYKWUBNUSDW-UHFFFAOYSA-N 463.472 1.333 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)NNC(=O)C1CCC1 1084304021 NFVPKHPOBPPNKL-UHFFFAOYSA-N 468.337 1.758 50 10 JDGE C#Cc1ccccc1CC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1348362577 FXOQOWIXAREZRV-UHFFFAOYSA-N 455.536 1.012 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNc1cccc2c1OC(F)(F)O2)c1ccc(S(C)(=O)=O)cc1 1641364622 KEFCUNPVEWKPRQ-GOSISDBHSA-N 455.439 1.906 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1COC[C@@H]1CBr 1942677331 WPMFMAHMBXOXBY-XJKSGUPXSA-N 459.362 1.782 50 10 JDGE O=C(N1C[C@H]2CC[C@H]1[C@@H]1CN(S(=O)(=O)CI)C[C@@H]21)C(F)(F)F 1983328451 XKOCYXSRDQRBMQ-RGOKHQFPSA-N 452.236 1.440 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@H]1CCBr 2046021443 BOTMITQBAYWVLM-ACJLOTCBSA-N 477.352 1.826 50 10 JDGE CN(Cc1nc(NS(=O)(=O)N2CCC(Br)CC2)n[nH]1)C(=O)OC(C)(C)C 2128860170 GQFHTNJLHZMCDW-UHFFFAOYSA-N 453.363 1.688 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2cc(B(O)O)ccc21)Cc1ccccc1 2268601911 DMPPLXIHHIZDQV-UHFFFAOYSA-N 453.348 1.282 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NS(=O)(=O)N3CCC(Br)CC3)CO[C@@H]1C2 2334245641 UWFHEWJQBYYUOV-IOASZLSFSA-N 454.387 1.505 50 10 JDGE COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 13630194 DQLMMIROIBMVPU-PMGBHYCQSA-N 472.523 1.381 50 10 JDGE CC(=O)N[C@@H](C(=O)NNC(=O)Cc1nc2ccccc2n1C)c1cccc(Br)c1 1649390629 RFVICZUDEXNUCH-LJQANCHMSA-N 458.316 1.903 50 10 JDGE COc1cc(C2=NNC(=O)CC2)ccc1NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1858079916 PZIJENAQZUKHCY-UHFFFAOYSA-N 471.539 1.851 50 10 JDGE O=C(O)/C=C/C(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1858959676 QJTIGDDJRVXZGR-BQYQJAHWSA-N 467.387 1.468 50 10 JDGE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)C(C#N)=C(C)N 2053510588 JVROJKNPXXILOT-OAHLLOKOSA-N 454.892 1.968 50 10 JDGE Cc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2267335279 KDOYSFQLLAQYHL-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 2325215859 UPXMLQSWBAGIHN-HNNXBMFYSA-N 455.924 1.645 50 10 JDGE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CCOCCI)C1 2326649282 VBTPRBLAUOMSAA-AWEZNQCLSA-N 469.364 1.791 50 10 JDGE COCC(=O)NNC(=O)CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1 20909112 VDPFOWFIFWTGSV-UHFFFAOYSA-N 467.555 1.944 50 10 JDGE O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCBr 22051944 BBAOPWJWXDYKOL-ZOBUZTSGSA-N 482.441 1.273 50 10 JDGE in-vitro COCCn1c(C)cc2c(c1=O)[C@]1(C(=O)N(C[C@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39918724 VOUCTOPOQMFVNO-PUAOIOHZSA-N 462.506 1.701 50 10 JDGE Nc1c(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2)nnc2cc(-c3ccccc3)nn12 1088715987 ILBAPTQUDJQKEX-VAWYXSNFSA-N 458.507 1.722 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ccc(C)c(F)c3)ccc2F)CC1 1585720365 PLGUTZZONYDAFL-UHFFFAOYSA-N 452.483 1.883 50 10 JDGE CN(C)c1cccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961580 MCEGJGUJMDINDO-ZWKOTPCHSA-N 450.543 1.882 50 10 JDGE CC(C)(C)OC(=O)N1CCN(c2ccc(B(O)O)c(C(F)(F)F)n2)CCN1C(=O)OC(C)(C)C 2240314119 QARXJZPLWPEYSC-UHFFFAOYSA-N 490.288 1.989 50 10 JDGE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 217230792 ZYAKYYRGBWJKAQ-HECSCLNYSA-N 451.505 1.000 50 10 JDGE C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)CO)c1 1183079122 XAJUQJWUPHRASR-UHFFFAOYSA-N 453.904 1.483 50 10 JDGE C=C(C)C[C@H](NC(C)=O)C(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1587357668 YJUBUIIEWZDCLO-INIZCTEOSA-N 450.542 1.781 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2cc(S(N)(=O)=O)ccc2Br)c1 1594438084 XRDAVFFZJJVWHQ-UHFFFAOYSA-N 453.343 1.709 50 10 JDGE CCOc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1860770545 MVJOGSFOLQWDTP-CYBMUJFWSA-N 476.580 1.991 50 10 JDGE Cn1ncc(Br)c1S(=O)(=O)NCCOCCCI 2042199744 BIYZLLLBEHTIRB-UHFFFAOYSA-N 452.112 1.303 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NS(=O)(=O)N2CCC(Br)CC2)C1 2116265893 AIJJQYSSIOICBQ-JSGCOSHPSA-N 456.403 1.298 50 10 JDGE CC(C)[C@@H](NC(=O)C(C#N)=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)O 2324990297 GWKYGORHESZQLS-QGZVFWFLSA-N 470.935 1.406 50 10 JDGE Nc1no[n+]([O-])c1C(=O)N/N=C1\C(=O)N(Cc2cccc(Br)c2)c2ccccc21 20530735 KWONXDNZZNGUTO-STZFKDTASA-N 457.244 1.334 50 10 JDGE COc1cccc(C(NC(=O)CI)NC(=O)CI)c1 100917303 ZMOUZXYCGLAVMV-UHFFFAOYSA-N 488.063 1.796 50 10 JDGE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 254833923 NBTNWAQPHPOOTR-GJZGRUSLSA-N 450.455 1.980 50 10 JDGE O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NNS(=O)(=O)c1ccc2nc(O)oc2c1 1860770705 SVYMWOZBMNHPNM-UHFFFAOYSA-N 497.514 1.982 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC[C@@H]1CBr 1942681730 RBSNACXVBZNQDV-SWLSCSKDSA-N 459.362 1.638 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)Cc1ccc(Br)cc1 2226109164 VSISGIAGLXGHDO-JTQLQIEISA-N 462.103 1.845 50 10 JDGE Cc1c(B(O)O)csc1C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2272032190 WGAKNRLMZFHZAO-UHFFFAOYSA-N 483.396 1.323 50 10 JDGE CCN(CC)Cc1c(C(=O)NN=Cc2ccccc2Br)nnn1-c1nonc1N 3663518 ZJDSAAGTYATXIE-UHFFFAOYSA-N 462.312 1.601 50 10 JDGE Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)c2ccccc21 10737083 URPBOOJQWMDCIP-UHFFFAOYSA-N 455.521 1.865 50 10 JDGE COc1ccc(C(=O)NNc2ncnc(NNC(=O)c3ccccc3OC)c2[N+](=O)[O-])cc1 40658494 OMOQIWHVDPDWLY-UHFFFAOYSA-N 453.415 1.916 50 10 JDGE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1c(C)nn(CCO)c1C 59914329 AHSKWGAHCOSSHR-FSJBWODESA-N 494.585 1.305 50 10 JDGE O=C(Cn1ccc2ccccc21)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 729667194 HTGBHKGEMKXTKA-UHFFFAOYSA-N 462.553 1.436 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770504 KZNXKBFDFXVBNR-LBPRGKRZSA-N 489.579 1.866 50 10 JDGE C[P@@]1(=O)C[C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[C@@H](Br)C1 1983926766 HNXPMIHXCSYYGK-DZWULXIXSA-N 463.290 1.731 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2C(CBr)[C@@H]2C1 2000543538 NEXGBWFHKWUTON-MPGHIAIKSA-N 459.337 1.913 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)NCc1ccc(B(O)O)cc1F 2269697134 CQAFWYQYCFBYDV-IBGZPJMESA-N 460.311 1.622 50 10 JDGE C[C@@]1(NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)CCCN(C(=O)OCc2ccccc2)C1 2282740948 HUYNXFMDQQPRLH-GOSISDBHSA-N 472.781 1.551 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2c(cccc2B(O)O)C1 2284054914 LHGIUURTCWGJFN-HXUWFJFHSA-N 468.359 1.751 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(NC=C2C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)c1 2296535569 WCAZTAAHWYIUNC-UHFFFAOYSA-N 482.493 1.097 50 10 JDGE COc1cc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)cc([N+](=O)[O-])c1OC(C)C 2323157867 VNCJDEAZHPXCCA-VIFPVBQESA-N 452.449 1.618 50 10 JDGE C/C(=N\Nc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)c1ccc2c(c1)OCO2 59815506 BNFXSUPZYLLVNH-WSDLNYQXSA-N 453.484 1.923 50 10 JDGE COc1cc(/C=N/Nc2nc(S[C@@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)cc(OC)c1OC 59883771 HRHBXFLLIAUZOX-QQZXWGPFSA-N 465.536 1.561 50 10 JDGE COc1ccc(C(=O)NNC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)c(OC)c1 731220328 CJGXAMXYUWECNU-IRXDYDNUSA-N 461.563 1.371 50 10 JDGE CC(=O)N[C@@H](C(=O)NNC(=O)CNC(=O)c1cccs1)c1cccc(Br)c1 1264889503 IPOSMBJADZBKNS-OAHLLOKOSA-N 453.318 1.265 50 10 JDGE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/NC(=O)Cn1c(O)nc2ccccc2c1=O 1873793908 MBWWWVYWMNIBCT-YSURURNPSA-N 479.449 1.538 50 10 JDGE CC[C@@H](C)[C@H](CI)NS(=O)(=O)c1c(Br)nnn1C 2081253916 QUPRTRSLEJEXHG-RQJHMYQMSA-N 451.128 1.706 50 10 JDGE CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(CBr)oc1Br 2179776536 VQSHXSUGOZWAGA-ZETCQYMHSA-N 451.158 1.745 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)N(C)C[C@H]1C[C@@H]1Br)NC(=O)OCc1ccccc1 2249433673 PHOOOCLXNUXQQN-ILXRZTDVSA-N 463.350 1.499 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2cc(B(O)O)ccc2C1 2284055516 USVJWGSFJRNODC-JOCHJYFZSA-N 468.359 1.751 50 10 JDGE COC1=CC(=CNNC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)C=C(OC)C1=O 17136149 VIHKFEYHACGAOQ-UHFFFAOYSA-N 494.258 1.957 50 10 JDGE COC[C@@H](Br)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703992780 FHCUZABTZJYITK-ZDUSSCGKSA-N 461.378 1.980 50 10 JDGE COc1cc(C(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)ccc1[N+](=O)[O-] 1860769937 MIRJJJSDBWZOKP-NSHDSACASA-N 471.495 1.961 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COC[C@@H]1CBr 2000543798 NOCPEVTZIIODME-YLVFBTJISA-N 463.325 1.340 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ccc(B(O)O)cc2F)C1 2267248515 GKLSWXWOYFMPQX-UHFFFAOYSA-N 458.295 1.130 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)cc1 2268643837 ZSLDVLQDOBYZNX-LAUBAEHRSA-N 456.348 1.823 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNS(=O)(=O)c1cc(Cl)c(B(O)O)s1 2282738018 OIPXAUGJTYNHHY-UHFFFAOYSA-N 476.860 1.266 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)N[C@H]1COC[C@@H]1Br 2301117027 LJOPIYMSQXLYIO-HOTGVXAUSA-N 459.362 1.925 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)Nc1cc(B(O)O)c(F)cn1 2320781987 QKCOUQKDFSAVBN-UHFFFAOYSA-N 456.324 1.511 50 10 JDGE Cc1ccccc1N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)S(C)(=O)=O 254743802 JTZQMEWRGBUSPZ-UHFFFAOYSA-N 475.527 1.656 50 10 JDGE COc1cc(C=NNC(=O)Cn2nnnc2N)ccc1OC(=O)c1cc(F)c(F)cc1Cl 254848680 JYNIFYVEETZAAE-UHFFFAOYSA-N 465.804 1.565 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 263622313 NSWHVHKBHJBGMM-UHFFFAOYSA-N 488.468 1.857 50 10 JDGE CCOc1ccc(-c2c(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)cc1 263625529 PTVMSJCQUKLMSP-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)Cc2cccc(B(O)O)c2)C1 2255751926 DKXWPMBYJQMSOO-UHFFFAOYSA-N 460.361 1.318 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cccc(F)c2B(O)O)C1 2282240919 BUVWWASGTPUFBR-GOSISDBHSA-N 471.338 1.357 50 10 JDGE CCOc1cc(C=NNC(=O)c2cc(C)nn2-c2nnc(C)c(O)n2)cc([N+](=O)[O-])c1OC 2323666287 NNOZGZZPKSZIBP-UHFFFAOYSA-N 456.419 1.459 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2cc(F)c(B(O)O)c(F)c2)CCN(Cc2ccccc2)C1 2366887612 BKPBZUORCNPNJS-QHCPKHFHSA-N 475.301 1.753 50 10 JDGE COC(=O)[C@@H](CCSSCC[C@@H](NC(=O)C(F)(F)F)C(=O)OC)NC(=O)C(F)(F)F 196366380 JGSAOIPJFPLDIY-HTQZYQBOSA-N 488.428 1.588 50 10 JDGE CC(=NNc1nc(SCC(=O)NNC(=O)c2ccccc2)n[nH]1)c1ccc2c(c1)OCO2 1084629546 BNFXSUPZYLLVNH-UHFFFAOYSA-N 453.484 1.923 50 10 JDGE C#CCN(CC(=O)NNC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1443903413 GISAXVTYFPAFLB-UHFFFAOYSA-N 453.540 1.587 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1COC[C@H]1CBr 1942681729 RBSNACXVBZNQDV-IUODEOHRSA-N 459.362 1.638 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCN2C[C@@H](Br)C[C@H]2C1 2029232348 HMLAGQRFPKGFTJ-GJZGRUSLSA-N 470.389 1.546 50 10 JDGE C[C@H](Br)[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCO1 2053850400 OHHXVBRJQUDEQQ-QITLCBANSA-N 477.352 1.825 50 10 JDGE C[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1nscc1B(O)O 2256640404 SFEKAUKAESEGCA-HNNXBMFYSA-N 462.381 1.027 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2csnc2B(O)O)CCN(Cc2ccccc2)CC1 2267435674 MWFDFFHVSQLMJW-UHFFFAOYSA-N 474.392 1.112 50 10 JDGE COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c(B(O)O)c1 2281782291 UZGZJTYPDJHBSV-UHFFFAOYSA-N 479.339 1.220 50 10 JDGE Cc1csc(CN(C)C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2283964276 MSENEEKLNBEDIB-KRWDZBQOSA-N 490.387 1.722 50 10 JDGE COc1ccc(C=C2SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC 2297309361 VDVGCJXMORYDRC-UHFFFAOYSA-N 457.464 1.907 50 10 JDGE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCOC)CC1 33897333 NALRTDUCMGHGDL-JXAWBTAJSA-N 467.526 1.452 50 10 JDGE O=C(NNc1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-])c1ccncc1 40658648 WNMUOUUKRFBZDM-UHFFFAOYSA-N 473.793 1.855 50 10 JDGE COC(=O)c1cc(Nc2ncnc(NNC(=O)COc3ccccc3)c2N)cc(C(=O)OC)c1 40705836 PDVFDIMGFCCUCH-UHFFFAOYSA-N 466.454 1.898 50 10 JDGE CCN1C(=O)C(=NNC(=O)CCCC(=O)NN=C2C(=O)N(CC)c3ccccc32)c2ccccc21 254871727 HWBIVDYUHYXCNW-UHFFFAOYSA-N 474.521 1.931 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)c1OC(C)=O 263630520 GNLCCWZMMWBJBU-UHFFFAOYSA-N 497.516 1.162 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)NCc3ccccc3)CC2)c1 1296543780 VFBYZLKHTOPTOO-UHFFFAOYSA-N 458.540 1.821 50 10 JDGE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1632909551 PVNFEBAVTCAUOF-ZDUSSCGKSA-N 452.371 1.120 50 10 JDGE NNC(=O)COc1cccnc1NC(=O)NC[C@H](c1ccccc1)S(=O)(=O)c1ccc(F)cc1 1858787769 OURQCMMZBDOJSZ-LJQANCHMSA-N 487.513 1.926 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2cccc(B(O)O)c2)CCN(C(=O)OC(C)(C)C)CC1 2227921368 KXBVMMPFAMPBDM-UHFFFAOYSA-N 463.384 1.656 50 10 JDGE COC(=O)[C@@H](I)CNS(=O)(=O)c1cc(Br)ccc1OC 2235935648 OUQPOCSBEIIAFQ-QMMMGPOBSA-N 478.102 1.713 50 10 JDGE O=C(OCc1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1 2267388285 WJCKVWKCNBXDML-CYBMUJFWSA-N 458.754 1.161 50 10 JDGE CCOCCCNC(=O)/C(C#N)=C/c1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O 34990575 NCQVANOGMQMYBF-FBMGVBCBSA-N 467.526 1.488 50 10 JDGE Cn1cc(C(=O)NNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c2ccccc21 726496908 PZMJZAATNMIGOV-UHFFFAOYSA-N 465.329 1.680 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2076785696 WCEDYPQXMMLDPT-VLIAUNLRSA-N 495.664 1.742 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2ccc(S(=O)(=O)O)cc2)c1 2324194329 WZEQYMILMKPBRS-UHFFFAOYSA-N 459.436 1.965 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/Nc1ccccc1N/C=C1/C(=O)N(C)C(=O)C(C#N)=C1C 101459158 FCPXCZQWSANAGB-JYFOCSDGSA-N 456.462 1.956 50 10 JDGE COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)NNC(=O)COc2ccccc2C)c1OC 206269856 ZFKRVKKWRZIBHM-HJWRWDBZSA-N 450.469 1.499 50 10 JDGE COc1ccc(CCNC(=O)C(=O)NN=Cc2cc(Br)ccc2O)cc1OC 1084398647 HWRLHTYUTFYPNI-UHFFFAOYSA-N 450.289 1.981 50 10 JDGE C=C[C@H](CC)CC(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1182182682 HANZYRJCBDZUAM-RHSMWYFYSA-N 453.561 1.702 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NN=c3cc[nH]c4cccnc34)CC2)cc1 1303434710 PWMAGLVQZLQEQX-UHFFFAOYSA-N 453.524 1.798 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)N([C@H](C)CC)C4=O)cnc2s1 1865845141 KVYUZMIJCWIUMK-GFCCVEGCSA-N 481.534 1.876 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCOC[C@@H]1Br 2000532339 IVKSXIPWTNZQLS-VBQJREDUSA-N 463.325 1.483 50 10 JDGE CC(C)(C)OC(=O)N1CCN([C@H]2CCC[C@@H]2NS(=O)(=O)CI)CC1 2007710634 WFRWWJWPEOUHEG-STQMWFEESA-N 473.377 1.772 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCN2C[C@H](Br)C[C@H]2C1 2029232347 HMLAGQRFPKGFTJ-CABCVRRESA-N 470.389 1.546 50 10 JDGE O=C(NCCNC(=O)c1ncc(B(O)O)cc1Cl)OCC1c2ccccc2-c2ccccc21 2243414424 APRAPMXEHJRYPI-UHFFFAOYSA-N 465.702 1.683 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(B(O)O)s2)C1 2247935325 KXSSXNOVPWJILZ-UHFFFAOYSA-N 468.362 1.170 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)Cc1ccccc1B(O)O)OCc1ccccc1 2255748408 BWWDNCIARQDEHQ-UHFFFAOYSA-N 464.349 1.155 50 10 JDGE Cc1cc(CN(C)C(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2256665465 LROJHZIQQZGUPM-SFHVURJKSA-N 462.377 1.805 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(B(O)O)s2)CC1 2266876852 SWTRTPLDQFNKDR-UHFFFAOYSA-N 483.396 1.358 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/NC(N)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530454 GFJQQPYCTIQFPJ-JBHXPRGRSA-N 461.559 1.353 50 10 JDGE biogenic CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)OCC(F)(F)F)CC2)c1 1585880733 BIMKJBBEBTUCKG-UHFFFAOYSA-N 451.423 1.610 50 10 JDGE CC(=O)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2cc(Br)cn(C)c2=O)cc1 1667661826 IDOJILCRVMKAKB-LLVKDONJSA-N 451.277 1.971 50 10 JDGE COc1cc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc(OC)c1OC 1872962047 OZAIOZQKROJXKO-IRXDYDNUSA-N 497.552 1.842 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@H]21 1996521291 LDBPBPRPURFWDT-HRCADAONSA-N 457.346 1.487 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H](CCBr)C1 2052686006 CKANHGJUDWLMBT-UGSOOPFHSA-N 477.352 1.826 50 10 JDGE Cc1cc(B(O)O)c(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc1Cl 2282251960 SYEIUEBTSSOXDV-UHFFFAOYSA-N 488.777 1.952 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(Cl)c(B(O)O)c2)C1 2287638942 NRWICJLMFZEGRH-UHFFFAOYSA-N 497.785 1.606 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)c(B(O)O)c(F)c1 2341211286 UVENVFPYKFJVRA-GOSISDBHSA-N 463.290 1.608 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2sc(Cl)cc2B(O)O)CCN(Cc2ccccc2)C1 2343827921 PNPSCTQPEDHFIG-JOCHJYFZSA-N 493.822 1.867 50 10 JDGE COC[C@]1(CBr)C=CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2351733486 YKUWBBRMYMYTEF-RTBURBONSA-N 489.363 1.993 50 10 JDGE CCN1C(=O)/C(=N/NC(=O)CC(=O)N/N=C2/C(=O)N(CC)c3ccc(C)cc32)c2cc(C)ccc21 38180193 ALMSSBUITPHPOF-UFSUQUSASA-N 474.521 1.767 50 10 JDGE N#CCCn1cc(/C=C(\C#N)C(=O)NCCN2CCS(=O)(=O)CC2)c(-c2ccc(Cl)cc2)n1 726939489 FNNNSAXSLJRQSH-NBVRZTHBSA-N 486.985 1.871 50 10 JDGE COc1ccc(Br)cc1C=NNc1nc(S[C@H](C)C(=O)NNC(C)=O)n[nH]1 1084175256 PTGJKENZVBHVAV-MRVPVSSYSA-N 456.326 1.670 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@@H](C(=O)O)C1 2106766191 LIWXOEZJRSQPAI-GFCCVEGCSA-N 456.359 1.096 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1B(O)O)Cc1ccccc1 2255767544 DSXIVFUHJSFPHS-UHFFFAOYSA-N 452.385 1.830 50 10 JDGE O=C(N[C@H]1CCCN(S(=O)(=O)c2ccc(B(O)O)cc2Cl)C1)OCc1ccccc1 2296040964 ODPHSBXQSDXPCQ-INIZCTEOSA-N 452.725 1.099 50 10 JDGE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 1446930689 VBBSAEBXOKCAPF-KRWDZBQOSA-N 458.378 1.349 50 10 JDGE CN(C)C[C@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096703 CQHHCYPWDAKXIQ-AWEZNQCLSA-N 460.394 1.697 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCn2c(CCl)nnc2C1 2171791107 DNZTVDOYCYNKEW-SFHVURJKSA-N 455.899 1.187 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)N(C)C[C@@H]1C[C@H]1Br)NC(=O)OCc1ccccc1 2249433676 PHOOOCLXNUXQQN-ZNMIVQPWSA-N 463.350 1.499 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)c1 2256619942 CGQMCTSCVRDMOJ-IBGZPJMESA-N 461.755 1.984 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2cc(B(O)O)ccn2)C1 2268650863 SIRGHNZZZVDVTL-HSZRJFAPSA-N 455.320 1.544 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B(O)O)cn2)CCN(Cc2ccccc2)CC1 2268724628 NLOUMEKDPQSCGN-UHFFFAOYSA-N 454.336 1.259 50 10 JDGE C[C@@H](NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1)c1ccc(B(O)O)cc1 2284143588 QROPYVCYWFLMDI-GOSISDBHSA-N 468.359 1.998 50 10 JDGE COc1cc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)ccc1OCc1cc(C)ccc1C 169893099 FOMUJYKDGISZIJ-YSURURNPSA-N 452.471 1.225 50 10 JDGE CCc1ccc(NC(=O)COc2ccc(C=NNC(=O)C(=O)NCCCOC)cc2OC)cc1 254579153 PDDKHKZGGSZTTE-UHFFFAOYSA-N 470.526 1.878 50 10 JDGE Cc1[nH]nc(CBr)c1S(=O)(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179815425 LTJNFULWCYXUBK-IAGOWNOFSA-N 455.378 1.887 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2284058836 BSEMAGXUKYPOOA-WAIKUNEKSA-N 488.419 1.512 50 10 JDGE O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 2314109222 QUUZCYLFHYQURI-KRWDZBQOSA-N 467.507 1.679 50 10 JDGE CCOc1c(/C=N\NC(=O)[C@@H](Sc2n[nH]c(=O)[nH]c2=O)c2ccccc2)cccc1OC 169891698 HOAQZHQFEZUTIL-SLCIXIPPSA-N 455.496 1.849 50 10 JDGE CN(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(N(C)C)cc2)C=3C#N)cc1 254568360 AIXIDOJZQNMFCW-HSZRJFAPSA-N 468.586 1.993 50 10 JDGE C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)cc1 1295891896 OFKVZYQCKRPNAV-UHFFFAOYSA-N 451.508 1.680 50 10 JDGE COc1ccc(S(=O)(=O)CCC(=O)N[C@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1OC 1866804751 WOVHCVBHDPVBOX-QGZVFWFLSA-N 493.563 1.557 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC[C@@H](Br)CBr 1953716229 ALELUMRVHNOVEB-VIFPVBQESA-N 454.140 1.360 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](F)[C@@H](Br)C1 1991656408 CMHXGLOTVYUJRA-XEZPLFJOSA-N 451.289 1.758 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@H](CBr)CC1CCOCC1 2019197486 AVVGVYBMUWEISR-AWEZNQCLSA-N 459.362 1.782 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CCCCI)[C@H]2CS(=O)(=O)C[C@@H]21 2243586804 VYIOCPQOKKVQCD-STQMWFEESA-N 458.362 1.920 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccncc3)c2N)cc1 40759493 ROYMTDBZAYFKAZ-UHFFFAOYSA-N 456.532 1.985 50 10 JDGE O=C(CI)NCCCCCCNC(=O)CI 117552634 YVYRKTXQJJKRJG-UHFFFAOYSA-N 452.074 1.649 50 10 JDGE NC(=O)C1CCN(c2ncccc2CNC(=O)NNC(=O)c2ccc(Br)cc2)CC1 1338637462 FDNYKZOUZFLJPZ-UHFFFAOYSA-N 475.347 1.690 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@@H]2COC[C@@H]21 2046022079 HNAHLDWOINPGSN-XSWJXKHESA-N 475.336 1.435 50 10 JDGE OB(O)c1c(Br)cc(I)cc1I 2059979936 JAXDOOFDRHXXEU-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@@H]21 2108232789 AYHNSHGIHZLMTM-XJTZBENFSA-N 489.363 1.967 50 10 JDGE Cc1oc(C(=O)NN)cc1Cn1cnc(I)c1I 310637484 AAEOOBZPRKEGIE-UHFFFAOYSA-N 472.024 1.646 50 10 JDGE CCCCCn1nc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c2ccccc2c1=O 920745906 DQMABTULYOCJIW-AOMKIAJQSA-N 457.556 1.802 50 10 JDGE COc1ccc(O)c(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)c1 1084023281 WWEQMILZVZFGMU-UHFFFAOYSA-N 459.463 1.657 50 10 JDGE CN([C@H]1COC[C@H]1Br)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942097476 IMBFQKQKZSZXAM-CVEARBPZSA-N 459.362 1.877 50 10 JDGE C[C@H](CNS(=O)(=O)N1CCC(Br)CC1)N1CCN(C(=O)OC(C)(C)C)CC1 2192451536 IGJWUPRBCSWHHL-CQSZACIVSA-N 469.446 1.621 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268653313 ZRCBBJZJGCSDDE-SFHVURJKSA-N 475.420 1.720 50 10 JDGE O=C(NNc1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 40658065 HAKWAERIWCZCSA-UHFFFAOYSA-N 465.430 1.772 50 10 JDGE C#CCOc1c(I)cc(/C=N/NC(=O)CN2CCOCC2)cc1OC 59246817 QNARSQJBLQLMNJ-YBFXNURJSA-N 457.268 1.094 50 10 JDGE COc1ccc(N2CCN(CCNC(=O)NNC(=O)c3nnc(O)c4ccccc34)CC2)cc1 743362394 BMVZLHYCHKFFDL-UHFFFAOYSA-N 465.514 1.110 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2Br)c1 912787410 PUODOVIDDGDYAE-UHFFFAOYSA-N 454.302 1.391 50 10 JDGE CC1=N[C@@]2(C(C)=NNC(N)=O)[C@H](C[C@@H]3[C@H]4CCC5=CC(=NNC(N)=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]32C)O1 1083142889 PAELSKDZRPCXOH-HLHAKZFVSA-N 497.600 1.930 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H](Br)[C@H](Br)C1 1877288503 KVNLNZAJKMRNAM-CHWSQXEVSA-N 480.178 1.845 50 10 JDGE C[C@@H](Br)[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCO1 2005903926 QKOOXXBYLAQYPI-CZUORRHYSA-N 459.362 1.877 50 10 JDGE CC1(C)OC[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1Br 2022063711 PQDPJBCVTWKYMI-HUUCEWRRSA-N 459.362 1.923 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ccc(B(O)O)cc2F)C1 2287639787 OCPYAFCZGBVZPC-UHFFFAOYSA-N 481.330 1.092 50 10 JDGE COc1cc(C=C2C(=O)N(CCOCCOC(C)=O)C(=O)C(C#N)=C2C)cc(OC)c1OC 2314619872 GNQOWAAREHAXJR-UHFFFAOYSA-N 458.467 1.884 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)c2cc(Br)cn2C)cc1 21965187 YPESIZBFLMKWPT-UHFFFAOYSA-N 499.387 1.852 50 10 JDGE O=C(COc1ccccc1)NCC(=O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254814217 CHJUPQXWQMDBIH-UHFFFAOYSA-N 486.484 1.978 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccc(F)c1)C=2C(=O)Nc1ccc(C)cc1 1080323739 VFPSUOZMWBZXBA-FQEVSTJZSA-N 490.516 1.549 50 10 JDGE CC(=O)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1 1658403104 JJTSXWRIHMAQEB-AWEZNQCLSA-N 453.455 1.908 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCOCCBr 1978682310 RJDXCOPCRQHDBR-MRXNPFEDSA-N 451.314 1.342 50 10 JDGE CC(C)(C)OC(=O)N1CC(CNS(=O)(=O)c2ccc(CBr)cc2)(C(N)=O)C1 2162598866 CJWWRBPSWOKFNG-UHFFFAOYSA-N 462.366 1.582 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)c2ccc(F)cc2Br)C1 2177848989 NVRSBZBLORZLDH-BDAKNGLRSA-N 451.133 1.427 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)N(C)C[C@@H]1C[C@@H]1Br)NC(=O)OCc1ccccc1 2249433675 PHOOOCLXNUXQQN-KKUMJFAQSA-N 463.350 1.499 50 10 JDGE Cc1ccc(B(O)O)cc1S(=O)(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 2255767820 FRKQZSUJDMKSKQ-UHFFFAOYSA-N 452.385 1.998 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2cccc(B(O)O)c2C1 2268702685 WVGZTIUUENGTJN-OAQYLSRUSA-N 454.332 1.361 50 10 JDGE COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)cc1B(O)O 2281690019 SDMKMZZOPSPCLT-UHFFFAOYSA-N 479.339 1.220 50 10 JDGE CCN(CC)Cc1c(C(=O)NN=Cc2ccc(N(CC)CC)cc2O)nnn1-c1nonc1N 254442472 KJWRKHCGIKMHJQ-UHFFFAOYSA-N 470.538 1.390 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1OC 254703286 SEJMMRAYVRVEEJ-UHFFFAOYSA-N 477.485 1.650 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N[C@@H]1COC[C@H]1CBr 1942677330 WPMFMAHMBXOXBY-CZUORRHYSA-N 459.362 1.782 50 10 JDGE CN1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 2046026547 SGHLAOLKLHXVHZ-ACJLOTCBSA-N 476.368 1.352 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2068779870 BGTVNRXSJSXEMQ-HALDLXJZSA-N 471.373 1.734 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H]2C[C@H](Br)C[C@@H]21 2128868396 KCYBQOGKUZXPDA-XIEZEKGWSA-N 489.363 1.967 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(Cl)cc2B(O)O)CCN1C(=O)OC(C)(C)C 2267356330 QITQRSREGVTTNP-UHFFFAOYSA-N 483.758 1.865 50 10 JDGE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCSSCCNC(=O)OC(C)(C)C)n1 2267579323 QJUVMLBLWHCNCS-UHFFFAOYSA-N 487.457 1.750 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(B(O)O)ccc21 2268649127 AYBGEYPKMGIOSS-FQEVSTJZSA-N 453.348 1.281 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)N1CCc2scc(B(O)O)c2C1)Cc1ccccc1 2336495669 YQZAQQCMOSXPNO-UHFFFAOYSA-N 473.404 1.340 50 10 JDGE CCOC(=O)C1CCN(C(=O)/C(C#N)=C\N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 253318511 FIQWIMWCRRSNBY-SILNSSARSA-N 454.527 1.742 50 10 JDGE COc1ccc(CNC(=O)C(=O)NN=Cc2ccc(OCC(=O)NCc3ccco3)cc2)cc1 1084394937 FJNCXBLDCNEAQX-UHFFFAOYSA-N 464.478 1.750 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(Br)c1 1629048262 GGUYOVXAEIWYJX-INIZCTEOSA-N 458.276 1.063 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cccc(Br)c2)s1 1634798192 VZOQNTACJLSXIR-UHFFFAOYSA-N 458.359 1.979 50 10 JDGE Cn1ncc([C@@H](Br)CS(=O)(=O)N2CCOCC2)c1I 2089388736 GTAOTWPDPBIVCG-VIFPVBQESA-N 464.123 1.123 50 10 JDGE COc1cc(CNC(=O)[C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)ccc1B(O)O 2260906675 HCXHQEVQHKJYQE-INIZCTEOSA-N 474.322 1.918 50 10 JDGE C[C@@]1(NS(=O)(=O)Cc2ccsc2B(O)O)CCCN(C(=O)OCc2ccccc2)C1 2282737936 NEMREHAUBRGQIQ-LJQANCHMSA-N 452.363 1.039 50 10 JDGE NNC(=O)c1ccccc1OCCn1cnc(I)c1I 312629551 YSANQODDYWZZJK-UHFFFAOYSA-N 498.062 1.775 50 10 JDGE CCOC(=O)[C@@H]1C2=C[C@H](OC(C)=O)[C@@H](Br)C=C2N(C)[C@H]1CN1CCC(=O)CC1 1565503658 AELBDGZUGNLTPQ-DSLXNQLJSA-N 455.349 1.664 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](Br)[C@H](Br)C1 1877288991 UGWANQRTQGGXML-VXGBXAGGSA-N 466.151 1.455 50 10 JDGE O=C(CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cnc(B(O)O)s1 2243926258 HMBCKJCWTAWSQK-UHFFFAOYSA-N 465.340 1.758 50 10 JDGE Cc1cc(B(O)O)ccc1S(=O)(=O)N(Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2255757412 UYYDIEKPFYGLEE-UHFFFAOYSA-N 460.361 1.485 50 10 JDGE C[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cc(B(O)O)cs1 2256600698 KTCBQTNMHXGXKI-INIZCTEOSA-N 461.393 1.632 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2nc(B(O)O)ccc2Cl)C1 2268793240 JMRFVGAFDMKRMF-UHFFFAOYSA-N 475.738 1.807 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2scc(B(O)O)c2C1 2314907237 IFLFFGXVHSUVCB-SFHVURJKSA-N 460.361 1.423 50 10 JDGE COC(=O)[C@@H](I)CNC(=O)c1ccc(I)c(O)c1 234591204 PYCBYVADWSLROG-QMMMGPOBSA-N 475.020 1.703 50 10 JDGE CC(=O)N[C@H](C(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1)c1cccc(Br)c1 1558459271 RTXBZNSELXMPNB-IRXDYDNUSA-N 453.337 1.027 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1ccc(B(O)O)s1 2256619214 WRTDMIMBFDOHDT-INIZCTEOSA-N 462.333 1.071 50 10 JDGE Cc1cc(S(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)sc1B(O)O 2267624936 HMAMXNZTOFSCJH-UHFFFAOYSA-N 486.424 1.486 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1Cc2ccc(B(O)O)cc2C1 2283964354 NBOAYVUXFUOFNK-FQEVSTJZSA-N 468.315 1.235 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2scc(B(O)O)c2C1 2336502328 WADMAWCNHSCITN-LJQANCHMSA-N 473.404 1.338 50 10 JDGE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1)NNC(=O)c1ccc(F)cc1 20923271 QGUVQKYFPDFCIB-DNTJNYDQSA-N 474.434 1.557 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNc2cc(C#N)ccc2Br)cc1 1640113697 JXTHUVDDUMHRBN-UHFFFAOYSA-N 451.302 1.945 50 10 JDGE COc1ccc(CC(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1OC 1860771091 JGXWQJJHRZZBIG-UHFFFAOYSA-N 456.524 1.744 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1nnc(CBr)s1 1989687102 IOKKZKPIECTKSI-UHFFFAOYSA-N 459.347 1.539 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)[C@H](C(=O)O)C1 2106766192 LIWXOEZJRSQPAI-LBPRGKRZSA-N 456.359 1.096 50 10 JDGE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(Br)CC2)C[C@@H]1CCO 2106775665 ZKQMRIGWEROOTG-AWEZNQCLSA-N 456.403 1.394 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2COC[C@@]2(CBr)C1 2213808455 GDCYPQNKNWLDQH-FZKQIMNGSA-N 457.346 1.346 50 10 JDGE O=C(NOCCCNC(=O)c1ccccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2247776341 XKDAKCFMAUFBCO-UHFFFAOYSA-N 460.295 1.957 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Br)CC1 2278338324 VLSJRSQNAFBSGI-UONOGXRCSA-N 456.403 1.657 50 10 JDGE Cc1sc(B(O)O)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1C 2281896246 GCQJTRYSOLICCC-LJQANCHMSA-N 487.431 1.896 50 10 JDGE COc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Br 13630173 GPNLLOZPWPMIJA-LBPRGKRZSA-N 495.355 1.735 50 10 JDGE COc1cccc(/C=N/NC(=O)CCNc2n[nH]c(=O)[nH]c2=O)c1OCc1cccc(C)c1 169892895 YIAUFIJEQIHDPN-WYMPLXKRSA-N 452.471 1.307 50 10 JDGE C[C@H]1[C@H](OC(=O)CCC(=O)NN2CCOCC2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 253624518 FBQSKFBDDWKIAP-ATHRJLPLSA-N 468.547 1.881 50 10 JDGE COc1ccc(C=NNc2nc(S[C@@H](C)C(=O)NNC(C)=O)n[nH]2)cc1OCn1cccn1 1083962280 ZXAYKXVRMDWWOL-LBPRGKRZSA-N 473.519 1.140 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NS(=O)(=O)N3CCC(Br)CC3)[C@H]2C1 2121647540 ZUXHUENWSFYGNZ-MCIONIFRSA-N 454.387 1.314 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1B(O)O 2256620106 FBRALSOOFIVWPT-IBGZPJMESA-N 461.755 1.984 50 10 JDGE Cc1nc(NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)ncc1B(O)O 2256640860 KRRZAASHPPAVMC-QFIPXVFZSA-N 474.326 1.967 50 10 JDGE Cc1ccc(B(O)O)cc1NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2268645085 SPVKBTNBKCWPLS-IBGZPJMESA-N 456.304 1.640 50 10 JDGE CN(C)CCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2280525035 VZGCURHRRYLADR-UHFFFAOYSA-N 471.462 1.869 50 10 JDGE COc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 12575085 PNRYMASAPKOUDX-BKHCZYBLSA-N 498.492 1.935 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)c1OC 254484843 NNOUOSINTDIUPV-UHFFFAOYSA-N 469.506 1.390 50 10 JDGE CC(C)C[C@@H](C(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1)N1C(=O)c2ccccc2C1=O 1858081590 UBLOVIZTXDGVRO-KRWDZBQOSA-N 459.480 1.405 50 10 JDGE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NS(=O)(=O)CI)CO2 1983326465 AGIYNCAGHDXIBK-LLVKDONJSA-N 460.334 1.857 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)NCCc1ccc(B(O)O)cc1)Cc1ccccc1 2140566062 FTVHPQFTTBTMLX-UHFFFAOYSA-N 455.364 1.052 50 10 JDGE CN(Cc1sccc1B(O)O)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268632178 HELGAGJHMQJJMB-HSZRJFAPSA-N 473.404 1.556 50 10 JDGE Cc1cc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2273758557 ZSXUAMHRHSVSJI-OAQYLSRUSA-N 455.364 1.316 50 10 JDGE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)cc(C)c1B(O)O 2281862243 FLMXCCVYQFKBAF-UHFFFAOYSA-N 477.367 1.828 50 10 JDGE COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(C)C(=O)C(C#N)=C3C)cc2)nc(OC)n1 110429736 MKCMPGYTZVIABH-LFIBNONCSA-N 484.494 1.429 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 254301637 XFWXYJHOGZJIDF-UHFFFAOYSA-N 462.382 1.121 50 10 JDGE CN(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(N(C)C)cc2)C=3C#N)cc1 254568363 AIXIDOJZQNMFCW-QHCPKHFHSA-N 468.586 1.993 50 10 JDGE CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCNC(=O)CBr 1857791190 AYHDZDSKRPAXFF-UHFFFAOYSA-N 486.400 1.312 50 10 JDGE Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)cc(C)c1B(O)O 2281863229 SNHMXPRKBXHTLJ-UHFFFAOYSA-N 468.359 1.607 50 10 JDGE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C(C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296543511 IUPNHUWQAIQYOP-MRXNPFEDSA-N 480.502 1.706 50 10 JDGE O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 2314109218 ONXIYCQZJAKVFC-QGZVFWFLSA-N 467.507 1.679 50 10 JDGE COc1ccc(NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2339736812 FDKFUWQNWWPVNW-LJQANCHMSA-N 457.336 1.339 50 10 JDGE OB(O)c1cc(I)c(I)c(I)c1 2060203732 KGPHLPBFTZVRIA-UHFFFAOYSA-N 499.620 1.180 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B(O)O)c2C1 2268643952 JZEHWKJVMQXNFS-NRFANRHFSA-N 453.348 1.234 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(B(O)O)c(F)c1F 2283967850 HQSGXWBBCQMPBF-INIZCTEOSA-N 478.257 1.610 50 10 JDGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13623575 CRUBGEANOIHWOS-GOSISDBHSA-N 484.578 1.786 50 10 JDGE CC(=O)N(C(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(N)cc1 216940360 KCQYXPZIVAPYCF-VLGSPTGOSA-N 453.524 1.562 50 10 JDGE O=C(COc1ccc(C=NNC(=O)CC(=O)NCc2ccccc2)cc1)NC[C@@H]1CCCO1 1084478302 ZJJKZOWCHMEPNY-NRFANRHFSA-N 452.511 1.517 50 10 JDGE C[C@H](C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)N1C(=O)c2ccccc2C1=O 1860771221 NIRGZTKAABCHJX-GFCCVEGCSA-N 479.518 1.169 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(S(=O)(=O)CI)C2)[C@@H]1CO 2212445376 AEQFCDFXVUTIKK-BJDJZHNGSA-N 460.334 1.162 50 10 JDGE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)c1scc(B(O)O)c1Cl 2247768080 KZPPJCNGTYVRCZ-UHFFFAOYSA-N 477.776 1.229 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2256621304 SQKMWROLQMLCCN-DNVCBOLYSA-N 462.377 1.851 50 10 JDGE O=C(NCCCCCNS(=O)(=O)c1ccc(Cl)c(B(O)O)c1)OCc1ccccc1 2282728131 PBPCDZZMPUPGFF-UHFFFAOYSA-N 454.741 1.395 50 10 JDGE Cc1cc(/C=C(/C#N)C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1F 920289704 AMQJQGFWKLZMBN-ZYNFKGNASA-N 472.542 1.902 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H](CBr)C1 2000541217 HUEZIDMGKCIVSU-SJCJKPOMSA-N 463.325 1.436 50 10 JDGE OB(O)c1cc(Br)c(I)c(I)c1 2059980053 QJMQKDXIDAKAMF-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@@]12CCOC2 2162589710 TUSHAKGNVMRJMO-RHSMWYFYSA-N 468.414 1.849 50 10 JDGE CN(Cc1csc(B(O)O)c1)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2283957966 UNMZNXKIIOHKIV-UHFFFAOYSA-N 487.431 1.946 50 10 JDGE COc1ccc(Br)cc1C=NNc1nc(S[C@@H](C)C(=O)NNC(C)=O)n[nH]1 1084175257 PTGJKENZVBHVAV-QMMMGPOBSA-N 456.326 1.670 50 10 JDGE CC(=O)N/C(=C\c1cccs1)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1634403585 MYUSZDFXNWFNKC-LGMDPLHJSA-N 450.542 1.389 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccccc4n3C)cc2)CC1 1638668493 BILFFNNUNTXWHV-UHFFFAOYSA-N 456.528 1.183 50 10 JDGE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ncccc3OCC(=O)NN)cc2)n1 1858836137 ICXZYGBFSUHNGE-UHFFFAOYSA-N 486.514 1.302 50 10 JDGE C[C@H](Br)CN1CCCN(C(=O)c2cnn(C)c2I)CC1 2176854168 QRFINQZHXSSUSH-JTQLQIEISA-N 455.138 1.956 50 10 JDGE CCc1nc(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)c(B(O)O)s1 2243359368 RRFUREDQAUFCHV-UHFFFAOYSA-N 465.340 1.654 50 10 JDGE C#CCOc1ccc(Br)c(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1 20156967 KXWQBFUCGIYWKB-UDWIEESQSA-N 450.314 1.890 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2cccc([N+](=O)[O-])c2)nnn1-c1nonc1N)C1CCCCC1 254309776 XGHFIWOMZRLSKZ-UHFFFAOYSA-N 468.478 1.669 50 10 JDGE N#CCCn1cc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)c(-c2ccccc2)n1 918803974 FGQXEOYJZLUOSG-RCCKNPSSSA-N 486.532 1.995 50 10 JDGE O=C(O)c1cccc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 1858081409 JWLFZJXLWSWCNQ-UHFFFAOYSA-N 467.525 1.183 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)C[C@]12CCOC2 2162589709 TUSHAKGNVMRJMO-PBHICJAKSA-N 468.414 1.849 50 10 JDGE Cc1cc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1B(O)O 2267342086 SUQLQDYYUGLJGC-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCc2ccccc2B(O)O)CCN(Cc2ccccc2)C1 2283956286 JUGZGNVTYYEEOO-VWLOTQADSA-N 467.375 1.195 50 10 JDGE C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=NNC(N)=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 2297643070 GFJQQPYCTIQFPJ-CSVXPNMBSA-N 461.559 1.353 50 10 JDGE CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)CCC(=O)NCc1ccccc1 9826205 BWPNCYSTXKQVDA-UHFFFAOYSA-N 472.567 1.834 50 10 JDGE COc1ccc(OC)c(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)c1 254804419 ZKZJOLMCUYZYSZ-UHFFFAOYSA-N 483.533 1.778 50 10 JDGE COc1cc(C=NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1OCc1ccccc1 254836841 PJQVLXMBRFAKPL-UHFFFAOYSA-N 476.493 1.172 50 10 JDGE CCN(CC)CCCCN1C[C@@H](C(=O)N2CCC[C@H](C(=O)NNc3ccccn3)C2)CC1=O 1872961029 HOZMLBGFXZRXIK-PMACEKPBSA-N 458.607 1.734 50 10 JDGE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 1942094731 IQPQQIMQDDDGBT-KBPBESRZSA-N 459.362 1.877 50 10 JDGE O=S(=O)(Cc1ncsc1B(O)O)NCCCN(Cc1ccccc1)Cc1ccccc1 2247880862 MXGWNZLUZOLLRE-UHFFFAOYSA-N 459.402 1.335 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)[C@H]2C[C@H](B(O)O)C2)CC1 2255773866 OLJVJVISYZRFEX-WKILWMFISA-N 455.361 1.556 50 10 JDGE CCOc1cc(/C=N/NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc(Br)c1OC 169925224 QCQHJWKNXCMCFI-AWQFTUOYSA-N 453.293 1.624 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)cnc2s1 1865845148 LICSLKOKCBOHSP-SFHVURJKSA-N 481.534 1.489 50 10 JDGE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NS(=O)(=O)CI)CC1 1910107486 NYOQVKZPURPMJP-NRFANRHFSA-N 467.351 1.274 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC[C@H]1COC[C@H]1Br 2048706247 KUOXENKCAULKGT-PNPHSEOMSA-N 477.352 1.730 50 10 JDGE Cc1nc(I)c(I)n1C[C@H]1CC[C@@H](C(=O)NN)C1 2061289784 XASKTHWNZDIEIS-JGVFFNPUSA-N 474.084 1.807 50 10 JDGE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NS(=O)(=O)N1CCC(Br)CC1)C2 2162591519 LLNOHADJEYXDLU-CDEQTRAXSA-N 468.414 1.895 50 10 JDGE C=C(CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)B(O)O 2255778726 VGOVFUGNIPIACM-UHFFFAOYSA-N 467.397 1.034 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(B(O)O)ccc1F 2268633332 RRLIBEMMOAXXAZ-HXUWFJFHSA-N 459.327 1.147 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br 14645314 LZUUTMUNHYMRKP-UHFFFAOYSA-N 496.767 1.473 50 10 JDGE CCOC(=O)[C@@H](CO)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O 100480540 RCEDVNZNMNXILI-ZWKOTPCHSA-N 462.374 1.058 50 10 JDGE C/C(=C/c1cccnc1)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1521833301 UMOUQFWAJPUJRA-ICFOKQHNSA-N 458.540 1.286 50 10 JDGE C[C@@H](C(=O)NNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)n1cnc2sc3c(c2c1=O)CCCC3 1860771787 IALQIZURHXANGJ-QWHCGFSZSA-N 493.545 1.730 50 10 JDGE CO[C@H]1C[C@@H](CBr)N(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1942096084 ZTVNFWAORWNSSD-KBPBESRZSA-N 459.362 1.877 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1COC[C@@H]1Br 1948499957 BAFFUNVXCHMZMP-DOMZBBRYSA-N 459.362 1.638 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)Cc2ccccc2B(O)O)C1 2255941603 IPPOXTQQEGMKKB-UHFFFAOYSA-N 460.361 1.318 50 10 JDGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1I 12502958 VLAISJIUBFMDEM-UHFFFAOYSA-N 456.265 1.644 50 10 JDGE Nc1nonc1-n1nnc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 27500471 LVZZMOKVYSDKDA-DNTJNYDQSA-N 480.357 1.185 50 10 JDGE CCOC(=O)N1CCN(c2ncnc(NNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[N+](=O)[O-])CC1 40658693 WZJBFFNZOUQLNH-UHFFFAOYSA-N 494.852 1.982 50 10 JDGE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 254833924 NBTNWAQPHPOOTR-HUUCEWRRSA-N 450.455 1.980 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 748279309 JLTMXRZXFFHNTO-FQEVSTJZSA-N 459.524 1.441 50 10 JDGE C#CC[C@H](CCOC)NC(=O)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 1683132053 YPAZEZNWKOCSMR-CQSZACIVSA-N 450.542 1.921 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](Br)[C@H](F)C1 1897220103 CMHXGLOTVYUJRA-ZENOOKHLSA-N 451.289 1.758 50 10 JDGE CC(C)(C)OC(=O)NCC12CC(CNS(=O)(=O)N3CCC(Br)CC3)(CO1)C2 2162603078 SXWFOQKPHOPXRY-UHFFFAOYSA-N 468.414 1.754 50 10 JDGE CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 2243918342 DXFRKGUSEDJVAN-UHFFFAOYSA-N 465.340 1.756 50 10 JDGE COc1ccc(Cl)cc1N(CC(=O)NN=Cc1ccc(OCC(N)=O)cc1)S(C)(=O)=O 15985693 MSQJFZAEBHTXMZ-UHFFFAOYSA-N 468.919 1.129 50 10 JDGE Cc1noc(C)c1S(=O)(=O)NCC(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 768291737 OUWJKTKVVKZGQH-UHFFFAOYSA-N 476.486 1.749 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 1448732790 ZSZDVVSCBGGCPS-ZDUSSCGKSA-N 453.904 1.436 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNc1cc(Br)ncn1)c1ccc(S(C)(=O)=O)cc1 1455466836 RDEMDAGBJGNXPJ-MRXNPFEDSA-N 456.322 1.137 50 10 JDGE Cc1[nH]nc(S(=O)(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1CBr 2179817437 PMDFYJAFWMKMDA-DLBZAZTESA-N 455.378 1.887 50 10 JDGE O=C(c1cc(I)sn1)N1C[C@@H]2OC[C@H](CBr)O[C@H]2C1 2265158540 NQHFSNFXFVVCSN-XVYDVKMFSA-N 459.103 1.751 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(Cl)cc2B(O)O)C1 2282301032 LXUMEPJPQSDAER-LJQANCHMSA-N 487.793 1.871 50 10 JDGE Cc1cc(B(O)O)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2282379751 YVFNHNJWTJJZDH-UHFFFAOYSA-N 499.395 1.068 50 10 JDGE Cc1ccc(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1B(O)O 2296180238 KOJYNKPAEVQYBY-RUZDIDTESA-N 467.375 1.460 50 10 JDGE CC(C)Oc1ccc(/C=N/NC(=O)[C@H](C)Sc2n[nH]c(=O)[nH]c2=O)cc1Br 169890812 IVYLDTMYZFDPQQ-LLADZKGESA-N 456.322 1.639 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)c(OC)c1OC 254403021 OKGGEGQOFQYIDI-UHFFFAOYSA-N 470.471 1.751 50 10 JDGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)Nc2ccc(N(C)C)cc2)CC1 1563863705 CVQCEAPXPWLYNC-UHFFFAOYSA-N 453.547 1.957 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)OCC(F)(F)F)cc1 1642408492 DYYXDUCFIPGERE-CQSZACIVSA-N 451.423 1.752 50 10 JDGE O=C(Nc1cc(I)cc(I)c1)c1ccc(B(O)O)cc1 1963580353 KKNQSFOTQWXNKU-UHFFFAOYSA-N 492.847 1.828 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cc(Cl)ccc1B(O)O 2146005062 RPTBBELDDSTQEK-UHFFFAOYSA-N 450.709 1.228 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)c1ccc(B(O)O)c(C(F)(F)F)n1 2240314246 QLYKPJVDQAJAJP-UHFFFAOYSA-N 492.304 1.636 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)NC[C@H]1C[C@H](Br)C1)NC(=O)OCc1ccccc1 2249459868 LOHBOWLYQLVCLY-RBSFLKMASA-N 463.350 1.547 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1ccccc1B(O)O 2266973599 HVZRJYOLTIVTTM-UHFFFAOYSA-N 465.356 1.294 50 10 JDGE O=C(NC1CCN(S(=O)(=O)c2c(Cl)cccc2B(O)O)CC1)OCc1ccccc1 2282730791 HVCINBPCILMGLN-UHFFFAOYSA-N 452.725 1.099 50 10 JDGE CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 1083956746 LXJFKADRKUPEKG-LJQANCHMSA-N 468.510 1.848 50 10 JDGE CC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848439082 OCZLAKAMOSUOEB-JBJWFOTASA-N 451.029 1.798 50 10 JDGE C[C@@H]1CO[C@H](CBr)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046029967 UZFRSAJTTFIHMR-SNUQEOBHSA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2112696703 NCUDXWJWNSXZOQ-CQSZACIVSA-N 456.403 1.706 50 10 JDGE N#C/C(=C/NCCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 217237431 LOTNGJIKXNPZFT-VLGSPTGOSA-N 457.531 1.361 50 10 JDGE CC(=O)N1CC[C@@H](NC(=O)NNc2ccc(S(=O)(=O)NC3CCCCCCC3)cn2)C1 1233667377 NRQWGURQFIJESF-QGZVFWFLSA-N 452.581 1.720 50 10 JDGE CN(C)[S@@](=O)(=NS(=O)(=O)CI)N1CCN(C(=O)OC(C)(C)C)CC1 2007722500 SNZUQBRSEGNGLU-DEOSSOPVSA-N 496.393 1.121 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NC[C@]1(CBr)CCCO1 2018296757 WXHJWFLOVSSLKW-GOSISDBHSA-N 459.362 1.926 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(CCBr)C(=O)C1 2114630952 BOTIPDNOCDUKTH-UHFFFAOYSA-N 486.388 1.178 50 10 JDGE O=S1(=O)C[C@@H](I)[C@@H](OCCOCCOCCOCc2ccccc2)C1 2220485263 NLUQOBSPWINBIN-SJORKVTESA-N 484.352 1.854 50 10 JDGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2248405581 VFLQCRCXMCAFAB-ORAYPTAESA-N 480.355 1.532 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1c(F)cccc1I 2267701927 ZSUKQKJPBLOBJR-MUWHJKNJSA-N 462.078 1.721 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268795646 ATOXUMLDRHHTRW-UHFFFAOYSA-N 474.388 1.806 50 10 JDGE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)c1cccc(Cl)c1B(O)O 2283092401 MPHGGLSSSBWOFX-UHFFFAOYSA-N 499.801 1.948 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCCc1ccccc1B(O)O 2283967594 FOTNKEXSZOXAPE-FQEVSTJZSA-N 470.331 1.052 50 10 JDGE COc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)cc1 254292742 NMGKSPKEMKPKMO-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ccnc(Cl)c3)ccc2F)CC1 1165995593 YFSDUFRVINREFW-UHFFFAOYSA-N 455.899 1.484 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1872962631 VDUBHCRVPFBWGY-IRXDYDNUSA-N 465.510 1.588 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B(O)O)cc1 2140557943 OTEHOYUFKQQPMU-UTKZUKDTSA-N 456.348 1.524 50 10 JDGE CN(C[C@@]1(Oc2nccc(B(O)O)c2F)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 2231661467 PVRBPAMSUDJWQV-QHCPKHFHSA-N 459.327 1.791 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268613676 XOGCCAYDVRTLBT-WBVHZDCISA-N 477.392 1.843 50 10 JDGE CN(Cc1ccc(B(O)O)s1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268632836 OAXZTCXQSBBCMN-QHCPKHFHSA-N 473.404 1.556 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)c1B(O)O 2282373293 KNCLBGSBUNADKK-HZPDHXFCSA-N 452.363 1.123 50 10 JDGE Nc1c(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cnc2ccc(Cl)cc12 32605649 PVZNBHUMVBJROO-UHFFFAOYSA-N 459.915 1.986 50 10 JDGE O=C(O)COc1ccc(Br)cc1C=NNC(=O)Cn1nnc(-c2ccccc2)n1 915937169 DYONNSDGDCFXJB-UHFFFAOYSA-N 459.260 1.716 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@]3(C)C[C@H]3Br)cc2)CC1 1618622864 PBAGMMKPPMIUQD-SJLPKXTDSA-N 458.378 1.443 50 10 JDGE CC(=O)c1cc(Br)ccc1OCC(=O)NNc1nccc(N2CCOCC2)n1 1650876447 GNWSOOLASFLFQO-UHFFFAOYSA-N 450.293 1.800 50 10 JDGE CC1(C)S[C@@H]2[C@H](NC(=O)/C(C#N)=C/c3ccc(Br)cc3)C(=O)N2[C@H]1C(=O)O 1866128941 UJENERZGQQLCSS-CEFYHKMTSA-N 450.314 1.988 50 10 JDGE OB(O)c1ccc(I)c(I)c1I 2060202718 MEMUNIXVIVIQIA-UHFFFAOYSA-N 499.620 1.180 50 10 JDGE Cc1cccc(B(O)O)c1C(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 2267334815 HGQFBOQROFOAEH-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@@H](CCl)[C@@H](I)CCl)CC1 2295784198 HRUZACOLGQBTLF-QWRGUYRKSA-N 459.177 1.924 50 10 JDGE Cc1nc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2OCc2ccc(F)cc2)cn1C 725878575 YIOAUKLPUYRLSV-UHFFFAOYSA-N 489.529 1.576 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CCN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860769832 JHCGYCLRHBBDAP-ZDUSSCGKSA-N 493.545 1.417 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCOC[C@@H]1CBr 2017829798 JQHVITYCAJWOAN-XJKSGUPXSA-N 459.362 1.782 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@H]2Br 2132545224 USZOKYFASMTMLI-UESRRSCYSA-N 489.363 1.682 50 10 JDGE C[C@]1(NS(=O)(=O)c2ccc(Cl)c(B(O)O)c2)CCN(C(=O)OCc2ccccc2)C1 2282378474 GVMSZRIEZYRNLH-IBGZPJMESA-N 452.725 1.099 50 10 JDGE COc1cc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2289570007 HXVJVSCDTVXKKR-FQEVSTJZSA-N 471.363 1.017 50 10 JDGE Cc1scc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1B(O)O 2343508641 XAYGVQATOXGKGD-UHFFFAOYSA-N 485.412 1.664 50 10 JDGE C/C(=N/OCC(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 59503759 RVRNMCOFXCQDOM-FMCGGJTJSA-N 458.383 1.069 50 10 JDGE CC(C)C[C@H](C(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1)N1C(=O)c2ccccc2C1=O 1858081591 UBLOVIZTXDGVRO-QGZVFWFLSA-N 459.480 1.405 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCN(CCOCCCl)CC1 1921094057 JOMIIZLADBSXRY-UHFFFAOYSA-N 457.980 1.266 50 10 JDGE CCOC1(CBr)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2052829201 VUYYHYRUBACDJX-KRWDZBQOSA-N 477.352 1.826 50 10 JDGE Cn1nc(CNc2ncc(Br)cc2B(O)O)c(I)c1Cl 2240333926 PKDCPAVBDHFXIS-UHFFFAOYSA-N 471.289 1.128 50 10 JDGE CC(C)(C)OC(=O)NC[C@@](C)(CI)O[C@@H]1CCN(S(C)(=O)=O)C1 2244066911 RAWXOGNESFXWBH-BXUZGUMPSA-N 462.350 1.755 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)Nc1nc(B(O)O)ccc1Cl 2256664942 HKCGPCRAEPEPBF-OAHLLOKOSA-N 463.727 1.854 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(B(O)O)c2C1 2268643954 JZEHWKJVMQXNFS-OAQYLSRUSA-N 453.348 1.234 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCCc2cccc(B(O)O)c21 2268721866 RDUCXSOQERTUBL-HXUWFJFHSA-N 454.332 1.756 50 10 JDGE COC(=O)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)C=3C#N)cc1 252666655 CDNCBBZPUJPFLJ-NRFANRHFSA-N 498.520 1.434 50 10 JDGE CCCC(=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)c1ccc(O)cc1 254300895 TZJTZQNGRUXUOU-UHFFFAOYSA-N 483.518 1.293 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)c1-c1ccc([N+](=O)[O-])cc1 254799990 NZPBVXLJNWUYMB-UHFFFAOYSA-N 464.358 1.480 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)ccc1O 254822214 JQORLDXERAYOST-UHFFFAOYSA-N 463.458 1.347 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(CCBr)CC1 703957902 JDEKDWGDXUQPBC-UHFFFAOYSA-N 472.405 1.651 50 10 JDGE C=C[C@@](C)(CC)C(=O)NNC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1641100741 AFYMCEJOTMDKBF-IERDGZPVSA-N 453.561 1.702 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)CI)OCC12CCC2 1983329350 ITBJLYJJNGAETF-LLVKDONJSA-N 460.334 1.857 50 10 JDGE O=C(C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC(=O)c1cc(-c2ccccc2)[nH]n1 2040444653 ONOOAFAZLWEXIC-UHFFFAOYSA-N 481.534 1.572 50 10 JDGE CO[C@H]1C[C@H](CBr)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2048330565 UMCCTHKZXSZFIB-VBHSOAQHSA-N 477.352 1.825 50 10 JDGE O=C(Cc1ccccc1I)N[C@@H]1CS(=O)(=O)C[C@H]1Br 2121331437 YBUVZZDIFZYIEM-MWLCHTKSSA-N 458.115 1.510 50 10 JDGE C[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cscc1B(O)O 2268632085 GIPBBRGHUIDAEY-HJPURHCSSA-N 473.404 1.775 50 10 JDGE COc1cc(C=C(C#N)C(N)=O)ccc1OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 2314737989 FEELFGOUVGWPGL-UHFFFAOYSA-N 464.390 1.587 50 10 JDGE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(Oc2ncc(Br)cc2B(O)O)C1 2365941075 YTLKLYVVOJYDSA-UHFFFAOYSA-N 455.036 1.891 50 10 JDGE O=C(CNC(=O)c1cccnc1)N/N=C1/C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 2209495 FRSIMWHUOSWMIH-XAYXJRQQSA-N 457.446 1.607 50 10 JDGE COc1cc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc(OC)c1OC 13623388 MWWQSEJRQDWWPW-INIZCTEOSA-N 486.550 1.397 50 10 JDGE COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2n[nH]c(=O)[nH]c2=O)c1OCc1ccccc1 169890608 UJFGOSXDRIKLPT-XIJPWPHISA-N 455.496 1.677 50 10 JDGE Cc1cc(I)ccc1NC(=O)/C(C#N)=C\N1CCN(S(C)(=O)=O)CC1 217254424 FGQXQLTUPOXVJO-QBFSEMIESA-N 474.324 1.523 50 10 JDGE CC(=NNC(=O)CN1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916310082 RZLZQQXGDIGZFJ-UHFFFAOYSA-N 455.584 1.574 50 10 JDGE CN1C(=O)c2ccc(N3C[C@@H](C(=O)N4CCC[C@@H](C(=O)NNc5ccccn5)C4)CC3=O)cc2C1=O 1872962049 OZUZIZRYSDQHBM-CVEARBPZSA-N 490.520 1.042 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCCOCCCI 1958676801 JRWQHKIZPBNXIK-UHFFFAOYSA-N 480.324 1.434 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@]2(C[C@H](Br)CO2)C1 2137124745 FDBOFVSOBPWYFY-FASAQXTFSA-N 489.363 1.969 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NS(=O)(=O)N1CCC(Br)CC1 2162589638 SEXUPVOPNORLBF-YJNKXOJESA-N 468.414 1.751 50 10 JDGE C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(CBr)oc1Br 2179781124 VLCNJPOYVVXCRR-ZETCQYMHSA-N 453.174 1.991 50 10 JDGE O=C(NCCNC(=O)c1c(F)cc(B(O)O)cc1F)OCC1c2ccccc2-c2ccccc21 2247733183 NDEPYRVVNQWTSW-UHFFFAOYSA-N 466.249 1.913 50 10 JDGE Cc1sc(B(O)O)cc1C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2267431519 AKLDZPAECBVYPO-UHFFFAOYSA-N 485.412 1.664 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268647343 YXNMSANUHISHIE-CRAIPNDOSA-N 476.408 1.368 50 10 JDGE Cc1cccc(B(O)O)c1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccccc1 2281743099 CKUHNEBTWVZWQH-HXUWFJFHSA-N 467.375 1.526 50 10 JDGE CC(C)(C)OC(=O)NC1(CC(=O)NCc2sccc2B(O)O)CCN(Cc2ccccc2)CC1 2283980816 FAFOSGMRWQBNAO-UHFFFAOYSA-N 487.431 1.994 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3cccc(Cl)n3)ccc2F)CC1 1160050257 AZHKCGWFACCIHY-UHFFFAOYSA-N 455.899 1.484 50 10 JDGE C[C@@H]1CO[C@H](CBr)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046029969 UZFRSAJTTFIHMR-VFVRVIDISA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CCO1 2106296808 CDJBJSKYQTUUCT-UONOGXRCSA-N 456.403 1.752 50 10 JDGE Cc1[nH]nc(S(=O)(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1CBr 2179817446 PMDFYJAFWMKMDA-IRXDYDNUSA-N 455.378 1.887 50 10 JDGE C[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cc(B(O)O)cs1 2268633778 ULNWHGOVWSVFIE-WAIKUNEKSA-N 473.404 1.775 50 10 JDGE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2282735845 HJGRYGBJFIAMOC-INIZCTEOSA-N 452.725 1.051 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNc2ccc(C=O)c(B(O)O)c2)C1 2339542910 IYUHTYVEEWNXIV-NRFANRHFSA-N 453.348 1.712 50 10 JDGE N#C/C(=C/c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 33249072 CHHYBXRHVBQENI-RTYFKUQISA-N 450.476 1.697 50 10 JDGE Cc1cc2c(c(=O)n1CCN(C)C)[C@]1(C(=O)N(C[C@@H]3CCCO3)c3ccccc31)C(C#N)=C(N)O2 39919020 HAXIKPBTYMNHAI-MRDQGFSESA-N 475.549 1.616 50 10 JDGE COC[C@H](Br)CN(C)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703992778 FHCUZABTZJYITK-CYBMUJFWSA-N 461.378 1.980 50 10 JDGE C=CCCC[C@@H](C)NC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1224915515 ZUTUIBKZSYEULJ-QGZVFWFLSA-N 452.577 1.715 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)s1 1633193564 JQBBYNUEXUXQEE-UHFFFAOYSA-N 451.555 1.668 50 10 JDGE C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)NNC(=O)CN4C(=O)c5ccccc5C4=O)c(=O)c23)C1 1860771688 DKLMVOAEAYVXCM-STQMWFEESA-N 493.545 1.587 50 10 JDGE CC(C)(C)OC(=O)NCc1cc(O)nc(CNS(=O)(=O)CI)n1 1983327869 RBXYQYFKSIJMJQ-UHFFFAOYSA-N 458.278 1.019 50 10 JDGE O=S1(=O)CC[C@@H](C(CBr)(CBr)C[C@H]2CCS(=O)(=O)N2)C1 2146191173 JAYNMMNDPXISIG-NXEZZACHSA-N 453.218 1.279 50 10 JDGE Cc1csc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1B(O)O 2267069835 XKYHVXXEPFROMS-SFHVURJKSA-N 473.404 1.588 50 10 JDGE O=S(=O)(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1ccc(F)c(B(O)O)c1 2282350380 MAKIKPBSMCXVMM-UHFFFAOYSA-N 484.358 1.255 50 10 JDGE CC[C@]1(NS(=O)(=O)c2cc(B(O)O)cs2)CCCN(C(=O)OCc2ccccc2)C1 2282513000 XDWRLBMZUJMVGP-IBGZPJMESA-N 452.363 1.288 50 10 JDGE COc1cc(/C=N/NC(=O)Cc2cn3ccsc3n2)ccc1OCC(=O)N1CCOCC1 8718325 TXCRMDBUURWDCV-WSDLNYQXSA-N 457.512 1.335 50 10 JDGE CCN1C(=O)/C(=N\NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21 9041974 CHXSOWOHBXCTIK-NXYWGOQDSA-N 450.524 1.865 50 10 JDGE COCCN(/C=C(/C#N)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 244237853 WFGBIHSGFJVKRS-YJBOKZPZSA-N 451.545 1.424 50 10 JDGE O=C(COc1ccccc1C=NNC(=O)C(=O)NCc1ccc2c(c1)OCO2)NCc1ccccc1 254482714 YCLSPHQCNXORKZ-UHFFFAOYSA-N 488.500 1.877 50 10 JDGE COc1cc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc(OC)c1OC 1872962045 OZAIOZQKROJXKO-DLBZAZTESA-N 497.552 1.842 50 10 JDGE O=C(OCc1ccccc1)N1CCOC[C@H](NS(=O)(=O)CI)C1 1881749896 NAWDCKIMBMUOIY-CYBMUJFWSA-N 454.286 1.336 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)c1ccc(F)c(Br)c1 2232138062 NQJCBSBCFZWSBC-SECBINFHSA-N 466.066 1.843 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@@H](O[C@@H]2CCCN(S(C)(=O)=O)C2)C1 2249187027 DVCYPFQPFIHUGG-AGIUHOORSA-N 474.361 1.850 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(B(O)O)ccc2Cl)C1 2281699753 YGWYCFOICLVVGM-IBGZPJMESA-N 487.793 1.871 50 10 JDGE COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 14657203 JEMGZXRKKPDXGI-UHFFFAOYSA-N 463.512 1.687 50 10 JDGE O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NNC(=O)Cc1c[nH]c2ccccc12 28636006 FKNRFXYELJALIB-UHFFFAOYSA-N 455.478 1.913 50 10 JDGE COCCN(/C=C(/C#N)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 217173436 WFGBIHSGFJVKRS-CJHMLJFCSA-N 451.545 1.424 50 10 JDGE CC(=NNC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc(C#N)cc1 254896783 JAYASXQXNHENFT-UHFFFAOYSA-N 456.470 1.895 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCC1(CBr)CCOCC1 700927073 LSHKIZGCRBRTMM-UHFFFAOYSA-N 459.362 1.784 50 10 JDGE C=CCN1C(=O)C(=O)N(CC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1=O 1351862346 FQHUSXJOFLPJGN-UHFFFAOYSA-N 457.446 1.640 50 10 JDGE C=C(C)C(C)(C)C(=O)NNC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(C)(=O)=O 1472478803 STBBHMSQVHTBET-INIZCTEOSA-N 453.561 1.702 50 10 JDGE C[P@]1(=O)C[C@@H](Br)[C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1983926767 HNXPMIHXCSYYGK-IEBYYPBYSA-N 463.290 1.731 50 10 JDGE COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)C(C#N)=C(C)N 2040425150 QCRCYCSMSIFJIU-UHFFFAOYSA-N 455.492 1.929 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2cc(B(O)O)ccn2)CC1 2223638921 NSUSHOBBFWFGEW-UHFFFAOYSA-N 450.345 1.056 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1csc(B(O)O)c1 2256624284 UURYNIBDZZSRJM-DNVCBOLYSA-N 462.377 1.885 50 10 JDGE O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NNC(=O)c1ccccc1OCc1ccc(F)cc1 14044901 KTBUQMUOKJFJJS-UHFFFAOYSA-N 462.437 1.869 50 10 JDGE CCOC(=O)COc1ccc(C=NNC(=O)CSc2nnnn2-c2ccccc2)cc1OC 254904479 NUEHESYHLFTCJW-UHFFFAOYSA-N 470.511 1.855 50 10 JDGE COc1ccc(C=NNC(=O)Cn2c(Nc3cccc(OC)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 606630254 OUFNDKMEDGSGNI-UHFFFAOYSA-N 491.508 1.345 50 10 JDGE C#CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1620579841 BMNQBQZZOBMOFO-UHFFFAOYSA-N 459.503 1.691 50 10 JDGE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)NNC(=O)c4cccnc4)CC3)ccc21 1858002076 FAZCVMVEYNNTOU-UHFFFAOYSA-N 485.566 1.243 50 10 JDGE Cc1cc(NC(=O)[C@@H]2C[C@@H]2Br)c(I)cc1S(N)(=O)=O 2231926047 QKYUAWVXVJOPOY-RQJHMYQMSA-N 459.103 1.969 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]2[C@H]1CO 2235559092 VFHMNWDGYPEZOG-AEGPPILISA-N 468.414 1.250 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2cscc2B(O)O)CC1 2266855256 OERIAVFFQPQKLM-UHFFFAOYSA-N 483.396 1.358 50 10 JDGE CC(C=NNC(=O)c1nnn(-c2nonc2N)c1CSc1nncn1C)=Cc1ccccc1 2297469559 ZLRZRQDBOXTJAU-UHFFFAOYSA-N 465.503 1.472 50 10 JDGE Cc1[nH]c(=O)nc(O)c1C=NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2297660247 MGDMCZJTCUKKDW-QGZVFWFLSA-N 454.487 1.851 50 10 JDGE CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NCCOC)C1 34829405 YKLKITOMMTZWJW-XIDKLXSXSA-N 467.526 1.452 50 10 JDGE CC(=O)NNC(=O)[C@@H](C)Sc1nnc(N/N=C/c2c(C)nn(-c3ccccc3)c2N(C)C)[nH]1 253570728 OAGLJOWSBPZYOM-SRRANQMSSA-N 470.563 1.459 50 10 JDGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 254287273 SNXVBKPEVWMLRK-GFCCVEGCSA-N 454.451 1.279 50 10 JDGE COc1ccc(CN2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962226 RISLTULMBLLJDG-OALUTQOASA-N 451.527 1.821 50 10 JDGE CN1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@@H](CBr)C1 2046021586 CNOIGBVBWVQBSN-SCLBCKFNSA-N 476.368 1.352 50 10 JDGE COc1ccc(B(O)O)cc1C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 2266927915 DYQDOSKQAYYPIJ-UHFFFAOYSA-N 490.321 1.965 50 10 JDGE CN(Cc1cc(B(O)O)cs1)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2268791712 OUYFWVRPMVKBKJ-UHFFFAOYSA-N 474.388 1.840 50 10 JDGE O=S(=O)(Cc1ccc(B(O)O)cc1)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2282739389 IQFHPLIPULEZSY-UHFFFAOYSA-N 480.395 1.257 50 10 JDGE C[C@H]1CCc2c(sc3ncn(CC(=O)NNS(=O)(=O)c4ccc5nc(O)oc5c4)c(=O)c23)C1 1860770807 XNPAXKMXKDRCKK-JTQLQIEISA-N 489.535 1.439 50 10 JDGE COC(=O)[C@H](CS(=O)(=O)N(C)CC1CC(Br)C1)NC(=O)OCc1ccccc1 2258171179 OSGVTYYLPHLNIC-GPANFISMSA-N 477.377 1.890 50 10 JDGE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(B(O)O)cc2C1 2283955258 DHCQRTZDNYAHDV-VGSWGCGISA-N 468.359 1.750 50 10 JDGE COc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 27469851 MRNMFLCGHGAEJS-HXOUYUJPSA-N 484.425 1.757 50 10 JDGE COCCNC(=O)/C(C#N)=C\c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1 206489569 MABJHGJWZGPMLP-LGMDPLHJSA-N 477.473 1.956 50 10 JDGE COc1ccccc1C=NNC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 1084553198 SHKKFZUKIPZKEP-UHFFFAOYSA-N 472.443 1.726 50 10 JDGE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Nc1ncccc1OCC(=O)NN 1858836104 GJRPQNZYIJALLO-UHFFFAOYSA-N 474.518 1.728 50 10 JDGE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962483 UKRXYOOQXFZMKY-ROUUACIJSA-N 464.526 1.775 50 10 JDGE C[C@@H](Br)CN1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2113856887 RJCONCKOQQXRCK-KUHUBIRLSA-N 490.395 1.742 50 10 JDGE CN(Cc1sccc1B(O)O)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2283953279 RHEPCWABBRGSQF-UHFFFAOYSA-N 487.431 1.946 50 10 JDGE Cc1csc(CN(C)C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c1B(O)O 2284058942 PWSRUBDCCIABMY-XMMPIXPASA-N 487.431 1.864 50 10 JDGE CC(C)COc1cccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 13630303 FNUSMDOSPGVAPT-INIZCTEOSA-N 458.540 1.999 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)s1 1464234959 PQTNIESYDWDGLZ-UHFFFAOYSA-N 459.553 1.915 50 10 JDGE C[C@@H](C(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)N1C(=O)c2ccccc2C1=O 1860771222 NIRGZTKAABCHJX-LBPRGKRZSA-N 479.518 1.169 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2OCC[C@]2(CBr)C1 2264256432 RJZKXRANINWAMJ-APWZRJJASA-N 471.373 1.878 50 10 JDGE Cc1sc(B(O)O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c1C 2267064634 AIRDLFAKLKCKNM-UHFFFAOYSA-N 483.396 1.890 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H](C)c1nscc1B(O)O 2268653061 KEIJJAZKXGJZHL-ZRGWGRIASA-N 477.392 1.841 50 10 JDGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1 217234487 HHROEEOGQZYQGB-BMOGTNHUSA-N 455.924 1.645 50 10 JDGE CS(=O)(=O)N[C@H]1CCCN(C(=O)/C(C#N)=C\c2cn(CCC#N)nc2-c2ccccc2)C1 915199467 CPLDHVYVXMWIEO-LVSKKATPSA-N 452.540 1.911 50 10 JDGE O=C(NN=Cc1ccccc1[N+](=O)[O-])c1nonc1C(=O)NN=Cc1ccccc1[N+](=O)[O-] 1084083109 LSTUMQBRUVEPAC-UHFFFAOYSA-N 452.343 1.414 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)c1 1176937874 XJNUVXVNINXSDP-UHFFFAOYSA-N 458.503 1.829 50 10 JDGE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1628170896 GTKMTDXWRBYOBW-LBPRGKRZSA-N 459.956 1.777 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)CNC(=O)c4ccccc4)c(=O)c23)C1 1860769606 AJELXGBXZZJXBQ-CYBMUJFWSA-N 453.524 1.160 50 10 JDGE CC1(C)CC(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)CC(C)(C)N1 1872962161 QMYMMNOJHIAFHX-ROUUACIJSA-N 470.618 1.921 50 10 JDGE CC(C)(C)OC(=O)N1CC2(CCC[C@H](CNS(=O)(=O)CI)O2)C1 1983327432 MMKQFNXGDQMXST-LLVKDONJSA-N 460.334 1.857 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1csc(I)c1 2008523073 YFTHJFWVEIIIHH-RQJHMYQMSA-N 450.117 1.643 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](I)[C@H](O[C@H]2CCN(S(C)(=O)=O)C2)C1 2244066949 RPMYJMUBVLCHRW-SDDRHHMPSA-N 460.334 1.460 50 10 JDGE Cc1cc(S(=O)(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)ccc1B(O)O 2282728416 RXTVPWMAAQXMSM-UHFFFAOYSA-N 480.395 1.425 50 10 JDGE C=C[C@](C)(CC)C(=O)NNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O 1629374763 MAWCKOCXGOEJOO-HSZRJFAPSA-N 452.515 1.178 50 10 JDGE COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2cccnc2)CC1 1858002257 WWBFSXAMQNWXDW-UHFFFAOYSA-N 452.920 1.606 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCc2ccc(B(O)O)cc2)CCN(Cc2ccccc2)C1 2140563719 KKBJJVWSANTERH-DEOSSOPVSA-N 453.348 1.152 50 10 JDGE O=C(CN1CCC(CNC(=O)OCc2ccccc2)CC1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 2195882944 GAPNQTKLFKBUAF-MSOLQXFVSA-N 457.980 1.145 50 10 JDGE Cc1sc(B(O)O)c(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1C 2255789795 NHKWCGVXSLETSJ-UHFFFAOYSA-N 471.385 1.193 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1c(F)cccc1I 2267701928 ZSUKQKJPBLOBJR-RCOVLWMOSA-N 462.078 1.721 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2cccc(B(O)O)c2)CCN(Cc2ccccc2)C1 2268634432 YENABVOPXCLCLM-XMMPIXPASA-N 453.348 1.152 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(B(O)O)ccc2F)C1 2282232756 DOAJYFCZLJYNBZ-LJQANCHMSA-N 471.338 1.357 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2B(O)O)C1 2283955675 GKISQBPIBXEINJ-VGOFRKELSA-N 468.359 1.750 50 10 JDGE CC(C)(C)OC(=O)NCCSSCCNC(=O)[C@H]1[C@@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 2311690082 IGDJQDQYPHPTHX-ZNMIVQPWSA-N 495.664 1.740 50 10 JDGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 2314109192 IBCLFWGHMLNOKY-SFHVURJKSA-N 482.562 1.788 50 10 JDGE Cc1ccc(OCC(=O)NNC(=O)C2CCC(C(=O)NNC(=O)COc3ccc(C)cc3)CC2)cc1 100103687 NAXVWRFVEIYYOD-UHFFFAOYSA-N 496.564 1.862 50 10 JDGE O=C(CCCCl)N1CCN(C(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169907271 NZSDJFNIULFUIA-UHFFFAOYSA-N 450.879 1.661 50 10 JDGE CCC(=O)NNC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084008290 JMVCGFLNWZVSJB-UHFFFAOYSA-N 470.563 1.460 50 10 JDGE C=CC[C@@]1(C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)CCCN1C(=O)OC(C)(C)C 1450222169 ABFVJCJOUMFOQA-MWTRTKDXSA-N 456.499 1.931 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)OCC(F)(F)F)cc1 1642408491 DYYXDUCFIPGERE-AWEZNQCLSA-N 451.423 1.752 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@H]1CCOC[C@H]1CBr 1909716130 JQHVITYCAJWOAN-CJNGLKHVSA-N 459.362 1.782 50 10 JDGE CC(C)(C)OC(=O)N1CC2(CCC[C@@H](CNS(=O)(=O)CI)O2)C1 1983327433 MMKQFNXGDQMXST-NSHDSACASA-N 460.334 1.857 50 10 JDGE CCOC1(CBr)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2052829202 VUYYHYRUBACDJX-QGZVFWFLSA-N 477.352 1.826 50 10 JDGE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCO1 2106767314 OMJAHBJBIIVCEE-OCCSQVGLSA-N 456.403 1.705 50 10 JDGE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNS(=O)(=O)N2CCC(Br)CC2)C1 2199844347 ULBVXFQNZJRSIH-QGZVFWFLSA-N 470.430 1.954 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCc2sccc2B(O)O)C1 2268650610 QFQLNPJTDPCCHJ-QHCPKHFHSA-N 474.388 1.888 50 10 JDGE Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)cc1B(O)O 2278700637 PKXISDCVUATMHJ-LAUBAEHRSA-N 456.348 1.790 50 10 JDGE CC(=NNC(=O)[C@H]1Cc2ccccc2O1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729819392 IZZRVWPXFPJBDC-GOSISDBHSA-N 451.526 1.256 50 10 JDGE C#C[C@@H](CO)NC(=O)/C(C#N)=C\c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1636623192 OCTJHLASPOMGAF-DZXKJOIRSA-N 456.300 1.205 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNc1ncc(Br)cn1)c1ccc(S(C)(=O)=O)cc1 1640198617 SVNHUGPIWJHILM-INIZCTEOSA-N 456.322 1.137 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)NNS(=O)(=O)c2ccc(Br)s2)CC1 1858082208 PEDGCNGRCFCXOT-UHFFFAOYSA-N 469.383 1.966 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1872962157 QMMWHJMPVVOPRO-HZPDHXFCSA-N 451.483 1.545 50 10 JDGE COc1cc(C=CC(=O)O)cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)c1OC 2040837576 UZGZXCBSIXYWJM-UHFFFAOYSA-N 452.510 1.975 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2[C@@H](CBr)CO[C@H]2C1 2121587914 NLYHMPMUDBCXOB-BVNXPQQUSA-N 489.363 1.682 50 10 JDGE O=S1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 2177846651 KAWYNQIEOPJRPH-WCBMZHEXSA-N 467.588 1.941 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2COC[C@@]2(CBr)C1 2219057298 NPJQZOGYVDFTMD-IFXJQAMLSA-N 471.373 1.736 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)s1 2256676727 ZEOUFJPNGOKIOS-GOSISDBHSA-N 462.377 1.805 50 10 JDGE COc1cc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)ccc1B(O)O 2282384477 NCNUDPSOKYJRRR-UHFFFAOYSA-N 460.339 1.576 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284137703 RLLOVORNHSASFF-UHFFFAOYSA-N 470.331 1.767 50 10 JDGE COc1ccc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 2267320968 ASQLEIRRPTZPJS-UHFFFAOYSA-N 490.321 1.965 50 10 JDGE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCCO)C(=O)C(C#N)=C3C)o2)cc1 15228025 CEHWFWQPOCBJAP-UNOMPAQXSA-N 483.502 1.746 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NNc2cc(C#N)ccc2Br)c1 1146587477 RASTZXCRLPNCQE-UHFFFAOYSA-N 451.302 1.945 50 10 JDGE C#CCN1CCC[C@H](NC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)C1 1471337577 PMIOOLYYCVLHFF-IBGZPJMESA-N 458.522 1.486 50 10 JDGE CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)CI 2056599730 BBNXOGIQDVDQCW-RYUDHWBXSA-N 490.360 1.877 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 2247941188 DVDZGOGTSYDHRN-UHFFFAOYSA-N 468.406 1.842 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2OCC[C@@]2(CBr)C1 2253351029 NEYISWMAOAMQEC-CRAIPNDOSA-N 457.346 1.488 50 10 JDGE C[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cc(B(O)O)cs1 2256621932 AMVUEOZMXZNOPU-QAPCUYQASA-N 461.393 1.630 50 10 JDGE CO[C@@H]1[C@H](OC)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1CCl 2358511014 FQMBKPZCZIHKKM-RCJHGTSTSA-N 462.927 1.294 50 10 JDGE CCN1C(=O)C(=NNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21 242583157 CHXSOWOHBXCTIK-GFCCVEGCSA-N 450.524 1.865 50 10 JDGE N#CCCn1cc(/C=C(/C#N)C(=O)NCCN2CCS(=O)(=O)CC2)c(-c2ccc(Cl)cc2)n1 726939488 FNNNSAXSLJRQSH-JXAWBTAJSA-N 486.985 1.871 50 10 JDGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2cccnc2)c(OC)c1 1084316412 HBJZWUWOYQOLGW-NRFANRHFSA-N 467.482 1.810 50 10 JDGE C=CCNS(=O)(=O)c1ccc(C(=O)NNc2nc(Br)cn3ccnc23)cc1 1457693819 NICAFUSLVGPOGI-UHFFFAOYSA-N 451.306 1.713 50 10 JDGE O=C(Cn1nnc(Cn2cnc(Cl)c2Cl)n1)NNC(=O)Nc1ccc(OC(F)(F)F)cc1 1615953812 NNFIPJFLWYJEPA-UHFFFAOYSA-N 494.221 1.976 50 10 JDGE CC(C)C[C@H](C(=O)NNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)N1C(=O)c2ccccc2C1=O 1858082230 QMDINNPVOSMBOX-GOSISDBHSA-N 487.557 1.991 50 10 JDGE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H](CBr)O1 2046027405 BLWAJAINURTMFF-FHSNZYRGSA-N 477.352 1.825 50 10 JDGE OB(O)c1c(I)ccc(Br)c1I 2059979964 LEHIJXSRPBHYRU-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE Cc1cc(B(O)O)sc1CN(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256674700 LLZQDHYLUQGAFM-QGZVFWFLSA-N 462.377 1.805 50 10 JDGE COc1ccc(CCNC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 2324722021 ZRLWMHPYNJHTMK-UHFFFAOYSA-N 484.578 1.776 50 10 JDGE CC(C)(C)OC(=O)NC[C@@]1(Oc2ccc(C=O)c(B(O)O)c2)CCN(Cc2ccccc2)C1 2339590619 PPGOVNJQVCLHBL-DEOSSOPVSA-N 454.332 1.727 50 10 JDGE COc1cc(/C=N/NC(=O)CCCSc2nnc(-c3ccncc3)n2N)c([N+](=O)[O-])cc1O 58992146 XFTJMLCRKPJIJT-SSDVNMTOSA-N 472.487 1.699 50 10 JDGE COc1ccc(CCNC(=O)/C(C#N)=C\NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 216787201 FJZXATDHNRSSQW-SDXDJHTJSA-N 458.540 1.250 50 10 JDGE CN(Cc1c(C(=O)NN=Cc2ccc(O)cc2O)nnn1-c1nonc1N)C1CCCCC1 254867811 JFLJLTAKGOBOLC-UHFFFAOYSA-N 455.479 1.172 50 10 JDGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCC(=O)OC 1084471193 JZBJDOVURFJFKI-UHFFFAOYSA-N 458.309 1.182 50 10 JDGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CBr)CC1 1632909550 PVNFEBAVTCAUOF-CYBMUJFWSA-N 452.371 1.120 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@@H]1Br 2029435385 MINGZVBRAYNUEX-JKSUJKDBSA-N 472.405 1.648 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](OCCBr)C1 2046752016 OMYOEVRZYWYZOY-UGSOOPFHSA-N 477.352 1.826 50 10 JDGE O=C(CN1CCC[C@H](CNC(=O)OCc2ccccc2)C1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 2195884089 VYPXNKHJRRIQEE-KZNAEPCWSA-N 457.980 1.145 50 10 JDGE Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)c(B(O)O)s1 2281874596 FQWMHAPJIFKKMU-UHFFFAOYSA-N 497.423 1.666 50 10 JDGE COCCN(CCOC)c1ncnc(NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] 40618323 HOBDJUZGJBFOPQ-UHFFFAOYSA-N 469.842 1.803 50 10 JDGE CS(=O)(=O)N1CCN(/C=C(/C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 216511428 MVKZNCRBFZGOIZ-FLFQWRMESA-N 493.633 1.905 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NC[C@H]1CCCO1 1084164260 GRHFPJVTIMNZLO-LJQANCHMSA-N 469.454 1.358 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](F)[C@H](Br)C1 1991656407 CMHXGLOTVYUJRA-WWGRRREGSA-N 451.289 1.758 50 10 JDGE CC[C@@]1(CBr)COCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2003258185 ALRPVTSWRKRDAG-GOSISDBHSA-N 459.362 1.878 50 10 JDGE CN(C)C[C@@H](Br)CN(C)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046026298 PYCBJDPZPRMHLB-ACJLOTCBSA-N 478.384 1.598 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CCC(Br)CC2)OCC12CC2 2185684015 NWGABEXGQAROQS-AWEZNQCLSA-N 468.414 1.849 50 10 JDGE COC(=O)[C@@H](CS(=O)(=O)N(C)CC1CC(Br)C1)NC(=O)OCc1ccccc1 2258158679 OSGVTYYLPHLNIC-UYSNPLJNSA-N 477.377 1.890 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2B(O)O)CCN(Cc2ccccc2)CC1 2268712525 SQIDDTAVGMHZIC-UHFFFAOYSA-N 453.348 1.864 50 10 JDGE Cc1csc(CN(C)C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c1B(O)O 2284058941 PWSRUBDCCIABMY-DEOSSOPVSA-N 487.431 1.864 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2Br)c1CN1CCCC1 3664891 AFJWJNWNXFMXPZ-UHFFFAOYSA-N 460.296 1.355 50 10 JDGE CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(O)c(N/C=C2/C(=O)N(C)C(=O)C(C#N)=C2C)c1 106350464 NAAOKYNGKGHOCA-ICFDZUSXSA-N 472.461 1.661 50 10 JDGE CCOc1cc(/C=N/NC(=O)CCNc2n[nH]c(=O)[nH]c2=O)cc(Cl)c1OCC(C)C 169892765 NGMUQMLZGBHOIA-LSFURLLWSA-N 452.899 1.497 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CC[C@@H]3CCCCN3C(=O)CCl)nc2)OC1(C)C 204881681 FCKHCNLCKQSWGK-HNNXBMFYSA-N 457.789 1.560 50 10 JDGE COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1O 254751914 QGLAKOQRXSYKNI-UHFFFAOYSA-N 495.412 1.294 50 10 JDGE Cc1cccc(N(CC(=O)NN=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)S(C)(=O)=O)c1 1084525789 BIKSPUKMQMGJMG-UHFFFAOYSA-N 475.527 1.656 50 10 JDGE C#C[C@H](CO)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1cccc(Br)c1 1141496339 PMJJZIMSZVPFJH-LEHPZIBWSA-N 456.300 1.205 50 10 JDGE C#CCN(CC(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1633472580 ASJAIOPDTPKUQN-UHFFFAOYSA-N 453.540 1.492 50 10 JDGE NNC(=O)COc1cccnc1NC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 1858836196 KXLIDMGEYDUUFS-UHFFFAOYSA-N 457.472 1.290 50 10 JDGE OB(O)c1cc(Br)cc(I)c1I 2059984910 JGZUIBSECUACDG-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(B(O)O)c1)Cc1ccccc1 2255950906 WDCWFYCJDUOXAR-UHFFFAOYSA-N 452.385 1.830 50 10 JDGE COc1ccc(/C=N/NC(=O)CCNc2n[nH]c(=O)[nH]c2=O)cc1OCc1ccc(C)cc1 169892668 DTTYEPBCJBJSSU-WYMPLXKRSA-N 452.471 1.307 50 10 JDGE Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CSc2nn(C)c(=O)n(C)c2=O)cc1 730569311 UCUBWRATZDDTRZ-UHFFFAOYSA-N 489.561 1.883 50 10 JDGE N#CCCn1cc(/C=C(\C#N)C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(-c2ccccc2)n1 920430769 APTOSWWTZQHNIM-GFCAVMEOSA-N 478.578 1.702 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2cccc([N+](=O)[O-])c2)n1)NNC(=O)c1ccc(F)cc1 1084307634 LBNPGXZEGQSPDU-UHFFFAOYSA-N 458.435 1.851 50 10 JDGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)CSc2ccccc2O)CC1 1677891519 XCNUVKIJIUFUAM-UHFFFAOYSA-N 457.556 1.683 50 10 JDGE O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)c1cncc(Br)c1 1860771444 WQIVGSSSUZKPQM-UHFFFAOYSA-N 462.329 1.956 50 10 JDGE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NS(=O)(=O)CI)CC1 1983328501 YFSHDHAZSCWWJY-QFIPXVFZSA-N 481.378 1.664 50 10 JDGE Cc1csc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1B(O)O 2255580489 DFDZXKXZXMQRHF-UHFFFAOYSA-N 471.385 1.228 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256642022 RHURSLGJIBNDKW-KRWDZBQOSA-N 462.377 1.853 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(Cl)ccc2B(O)O)C1 2267257683 ZSIQVUKHAZFTOW-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE COc1cc(C(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)ccc1B(O)O 2267394676 QVHHNJSOXTZHPQ-UHFFFAOYSA-N 456.304 1.568 50 10 JDGE Cc1cc(B(O)O)c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)s1 2267419365 PGXXMIHZBPQUGL-GOSISDBHSA-N 473.404 1.588 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268649753 KOIDMULEHRPOFN-LJQANCHMSA-N 457.336 1.339 50 10 JDGE CN(Cc1ccc(B(O)O)cc1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283951014 RPWZFNJEEQVDGH-VWLOTQADSA-N 467.375 1.494 50 10 JDGE COc1ccccc1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCc1ccccc1 14011503 LUOGANXOAVFYSG-UHFFFAOYSA-N 459.524 1.662 50 10 JDGE C#CCOc1ccc(NC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1623086344 FREPUNJOSKSTJQ-UHFFFAOYSA-N 458.496 1.186 50 10 JDGE O=C(OCc1ccccc1)N1CCO[C@H](CNS(=O)(=O)CI)C1 1881744051 DLKHUERXEKTUCC-CYBMUJFWSA-N 454.286 1.336 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccc(Cl)cc1B(O)O)Cc1ccccc1 2256599482 DYJIUABUAALCMY-UHFFFAOYSA-N 461.755 1.985 50 10 JDGE Cc1cc(B(O)O)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c1 2267340721 ICRITTNZRHIDCF-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(Cl)c(B(O)O)n2)CCN(Cc2ccccc2)C1 2268724386 KKFBQKAPOXUFIN-JOCHJYFZSA-N 474.754 1.523 50 10 JDGE CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)CCCBr)CC2)s1 49369841 FKNMRQDRLOSICW-UHFFFAOYSA-N 450.428 1.979 50 10 JDGE COc1ccc(C=NNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1 254793067 ZCTAGYLTKQMMHR-UHFFFAOYSA-N 460.556 1.469 50 10 JDGE CCOc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 1860770644 QNHHFDSSBMZVFN-UHFFFAOYSA-N 462.553 1.745 50 10 JDGE O=C(NOCCCNC(=O)c1ccncc1B(O)O)OCC1c2ccccc2-c2ccccc21 2247724572 ZWQJPYPYAIKHLJ-UHFFFAOYSA-N 461.283 1.352 50 10 JDGE Cc1ccc(S(=O)(=O)N2CCN(C=C(C#N)C(=O)Nc3ccc(S(=O)(=O)O)cc3)CC2)cc1 2324196966 OFSGYYAABZEPTA-UHFFFAOYSA-N 490.563 1.594 50 10 JDGE COCCCNC(=O)CC(=O)NN=Cc1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 725406856 ATBLCOJCBZEZET-SFHVURJKSA-N 454.527 1.936 50 10 JDGE C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1cccc(S(=O)(=O)N3CCCCC3)c1)CS2 912643202 IFIUOONRMICKLT-OXJNMPFZSA-N 466.585 1.076 50 10 JDGE Cc1cccc(C)c1N(CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)S(C)(=O)=O 1084413517 RBUMABPPIVNDIA-UHFFFAOYSA-N 489.554 1.965 50 10 JDGE CCOC(=O)[C@@H]1C2=C[C@H](OC(C)=O)[C@@H](Br)C=C2N(C)[C@@H]1CN1CCC(=O)CC1 1565503660 AELBDGZUGNLTPQ-WZGPROSRSA-N 455.349 1.664 50 10 JDGE O=C(OCc1ccccc1)N1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(B(O)O)cc2Cl)C1 2282374254 YVSQKFYLAQFCOI-CQSZACIVSA-N 473.143 1.363 50 10 JDGE CCOC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)C=Cc2ccccc2OC)c2ccccc21 2296658442 ZUGHJIRLVPDEHV-UHFFFAOYSA-N 464.478 1.255 50 10 JDGE CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[S@](=O)CC(=O)NNC(C)=O 586294238 MXQCPSDIIIJYQM-HKBQPEDESA-N 465.553 1.755 50 10 JDGE CCOC(=O)COc1ccc(C=NNC(=O)CN2CCOCC2)cc1I 1084166314 BZWHULXTCHMKSH-UHFFFAOYSA-N 475.283 1.015 50 10 JDGE CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@@H]2NS(=O)(=O)CI)CC1 1907615570 WFRWWJWPEOUHEG-QWHCGFSZSA-N 473.377 1.772 50 10 JDGE CN1C[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H](Br)C1 1942693110 MDSQGNJEZDQCBW-CVEARBPZSA-N 458.378 1.450 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CNS(=O)(=O)CI)C2)C1 1983329105 GJMOBSWZZDAEOH-BXUZGUMPSA-N 460.334 1.714 50 10 JDGE CCn1cc(C(=O)NCCCONC(=O)OCC2c3ccccc3-c3ccccc32)nc1B(O)O 2255483800 JHJSPEONJIFPGS-UHFFFAOYSA-N 478.314 1.173 50 10 JDGE Cc1cc(B(O)O)c(C)cc1NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268637762 FPBRUJBFSAWWLX-NRFANRHFSA-N 455.364 1.947 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCc2ccc(B(O)O)cc2C1 2268701391 PIKVOSBDGXUNJI-OAQYLSRUSA-N 454.332 1.361 50 10 JDGE O=C(OCc1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2B(O)O)C1 2282731532 RTWMEJGQOUSSMR-OAHLLOKOSA-N 452.725 1.099 50 10 JDGE C/C(=N/NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1N)c1ccc2c(c1)OCO2 58989988 AVCRBQZERRWXII-NHDPSOOVSA-N 455.456 1.928 50 10 JDGE N#CCC(=O)N/N=C/c1cc(I)c(O)c(I)c1O 59465380 XRCNHBJZRWWTQE-LNKIKWGQSA-N 470.992 1.671 50 10 JDGE Cc1ccc(S(=O)(=O)Oc2c(B(O)O)cc(I)c3cccnc23)cc1 309866418 PMUMLFQVQAUDOY-UHFFFAOYSA-N 469.065 1.595 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN2C[C@H](Br)C[C@H]2C1 703959474 ZPJKZLXPHIXNJM-CABCVRRESA-N 484.416 1.792 50 10 JDGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)nnc12 748285814 UMDIOZYIZZWAEK-SFHVURJKSA-N 476.518 1.473 50 10 JDGE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NNC(=O)c2ccc(Br)cc2)C1 1321518700 HACZPNHMECRSFW-CQSZACIVSA-N 484.376 1.651 50 10 JDGE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)CI)C1 1884474958 WUAKOKTVUFUDNX-GWNMQOMSSA-N 452.336 1.721 50 10 JDGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1cnc(B(O)O)s1 1901529013 FJQRCHKOPLHYEX-FQEVSTJZSA-N 465.340 1.756 50 10 JDGE CCCCCC[C@@H]1[C@H]([C@H](O)C(=O)[C@@H](O)CCC)C=C2[C@@]3(C)CC4=C(C(=O)OC4=O)[C@H]1[C@@]2(O)OC3=O 2080454121 BHIZEFQUFOOKIR-VRQJYELDSA-N 490.549 1.872 50 10 JDGE C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(CBr)oc1Br 2179781123 VLCNJPOYVVXCRR-SSDOTTSWSA-N 453.174 1.991 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](COc2ncc(Br)cc2B(O)O)C(F)(F)C1 2240280840 MZXPMNPTPXCKCY-SNVBAGLBSA-N 451.073 1.795 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268613675 XOGCCAYDVRTLBT-RDJZCZTQSA-N 477.392 1.843 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1cccc(B(O)O)c1 2268645407 UTWPVUPREVGNNG-IBGZPJMESA-N 456.304 1.009 50 10 JDGE COCCn1c(C)cc(C=C(C#N)C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1C 2297335808 DHVUKNZXDYEQKN-UHFFFAOYSA-N 460.512 1.488 50 10 JDGE COc1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1O 20923460 RGTCMTLLXVZZRP-ZVBGSRNCSA-N 459.463 1.657 50 10 JDGE C/C(C=NNC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O)=C\c1ccco1 254557658 MMXGYYFDXXXEED-LRPHIIFSSA-N 476.457 1.356 50 10 JDGE COC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(OC)c1 254558927 RDRDSANEZQUMDJ-HXUWFJFHSA-N 475.526 1.528 50 10 JDGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CB(O)O)C(=O)O 2248874441 HQYAWIQAOXHIIY-SFTDATJTSA-N 468.315 1.982 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268708129 XOGCCAYDVRTLBT-NVXWUHKLSA-N 477.392 1.843 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCCc2c(B(O)O)cccc21 2268722323 YOBVSYRTELYZKD-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1ccc(B(O)O)cc1 2284059395 TVQIUQKMBOPYFF-AVRWGWEMSA-N 467.375 1.713 50 10 JDGE COC(=O)c1ccc(C(=O)OC)c(NC=C(C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 2324879313 AKNZEAZFYSLPCB-UHFFFAOYSA-N 458.452 1.365 50 10 JDGE Cc1ccccc1OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc1ccccc1C 100046064 KPJPABMWQVZUPO-UHFFFAOYSA-N 470.526 1.616 50 10 JDGE O[C@@H](CBr)Cn1cnc(I)c1I 306425439 OKJLKMRHEYKKDZ-BYPYZUCNSA-N 456.847 1.848 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@]1(C)CBr 2049902619 AOGNKKLTKLURPP-ZWKOTPCHSA-N 477.352 1.826 50 10 JDGE CC(C)(C)OC(=O)N1CC2(COCCN2S(=O)(=O)N2CCC(Br)CC2)C1 2111326567 SBUCZWAVOMSZFA-UHFFFAOYSA-N 454.387 1.412 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2ccc(Cl)c(B(O)O)c2)C1 2267357571 AZQISSBDWACQCK-UHFFFAOYSA-N 474.750 1.644 50 10 JDGE CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 13630239 BMOIEWIFMPELFD-INIZCTEOSA-N 458.540 1.999 50 10 JDGE COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCOCC3)c3ccccc32)cc1 254441406 ONGJLMBWZBNPNM-UHFFFAOYSA-N 465.510 1.593 50 10 JDGE CSCC[C@H](NC(=O)C(=O)O)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 382637385 QQXFDWMHRNYXNR-SFHVURJKSA-N 457.508 1.879 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCN2C[C@@H](Br)C[C@H]2C1 703958201 NCOMCVLWZQZYMH-KBPBESRZSA-N 456.362 1.156 50 10 JDGE CCCCCn1nc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c2ccccc2c1=O 920745909 DQMABTULYOCJIW-OPAMFIHVSA-N 457.556 1.802 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NN(C)C(=O)OC(C)(C)C)ccc2F)CC1 1629476538 YHKTXTRHDTYZEH-UHFFFAOYSA-N 458.512 1.190 50 10 JDGE C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccc(CC)cc3)[nH]n2)c1 1637730013 ZDNMHLWHKQUCKG-UHFFFAOYSA-N 451.508 1.625 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NNC(=O)c3cccnc3)CC2)cc1 1858002232 SOQUKOKQLCKMEB-UHFFFAOYSA-N 487.582 1.426 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1858082245 RMLFCXXSPQSLKF-UHFFFAOYSA-N 483.591 1.624 50 10 JDGE CN(C)C[C@H](Br)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046026300 PYCBJDPZPRMHLB-SCLBCKFNSA-N 478.384 1.598 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(S(=O)(=O)N3CCC(Br)CC3)C[C@@H]21 2163055989 NCHNVLFDHNFEKW-GJZGRUSLSA-N 468.414 1.801 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(S(=O)(=O)N2CCC(Br)CC2)C1 2188789123 VEPQOAOYMYATFC-QWHCGFSZSA-N 470.386 1.533 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CCC[C@@H]3CCCCN3C(=O)CCl)nc2)OC1(C)C 204882318 CEOMJOZMVOHGIH-INIZCTEOSA-N 471.816 1.950 50 10 JDGE NC(=S)NNC(=O)c1cc(I)cc(I)c1O 700868482 CHMULKAPKDRJIH-UHFFFAOYSA-N 463.038 1.079 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NNc3ccc(F)cc3F)ccc2F)CC1 1151606798 VCPZOSNVNYWMJB-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE OB(O)c1cc(I)cc(Br)c1I 2059980204 ZULHDRJXPJMRNS-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@H](COc2ncc(Br)cc2B(O)O)C(F)(F)C1 2240280839 MZXPMNPTPXCKCY-JTQLQIEISA-N 451.073 1.795 50 10 JDGE Cc1csc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1B(O)O 2256620649 KVPHUOQBOJJEQU-DNVCBOLYSA-N 462.377 1.851 50 10 JDGE CCOc1cc(C=NNC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)N1CCOCC1 252627988 SFRKAALIICDCGF-UHFFFAOYSA-N 468.510 1.720 50 10 JDGE C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NNC(=O)c3cccc4cccnc34)CC2)C1 731222076 LUIJLSLPJNNKPD-HKUYNNGSSA-N 452.559 1.902 50 10 JDGE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NNC(=O)CCc3ccco3)nnc12 748271602 XNEOHFLYLLVJIC-UHFFFAOYSA-N 452.496 1.696 50 10 JDGE Cc1ccc(S(=O)(=O)CCCC(=O)NNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 1865851403 ASUGMYNFKKAPSA-UHFFFAOYSA-N 476.580 1.785 50 10 JDGE C/C(=N/NC(=O)c1ccncc1NS(=O)(=O)c1cccs1)c1cccc(OCC(N)=O)c1 2059028256 HVWXYWAPUSTYMP-QRVIBDJDSA-N 473.536 1.962 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(B(O)O)cc2F)C1 2281705037 HGUPSOWFNYFNNR-IBGZPJMESA-N 471.338 1.357 50 10 JDGE COc1cc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2289466755 IRHGHZWWUPUSHD-LJQANCHMSA-N 472.347 1.491 50 10 JDGE O=C(CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)NNC(=O)C(F)(F)F 20833756 CLWNVZQENKZYET-BLLMUTORSA-N 466.243 1.815 50 10 JDGE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCBr 22051957 BBAOPWJWXDYKOL-VYDXJSESSA-N 482.441 1.273 50 10 JDGE in-vitro CC1CCC(NC(=O)CN2CCN(C(=O)NNC(=O)c3cccc4cccnc34)CC2)CC1 728309467 WMDUBYUBOGSBFP-UHFFFAOYSA-N 452.559 1.902 50 10 JDGE CN(CCBr)CCN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022052 HFMSBRSGITWLGV-GOSISDBHSA-N 478.384 1.599 50 10 JDGE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCc1ccccc1B(O)O 2248416625 WPSKSPYYIXNZQD-QGZVFWFLSA-N 458.323 1.952 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NCc1sccc1B(O)O 2256617594 KOOLDXHZFWFSNP-INIZCTEOSA-N 462.333 1.071 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)s1 2256626738 NMHOWXVVPLCOEU-HNAYVOBHSA-N 462.377 1.851 50 10 JDGE N#CC(=Cc1ccc(OCCN2CCOCC2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 2295672340 NXHXCDDYYFNJRE-UHFFFAOYSA-N 456.524 1.591 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[C@@H](CN(CCOCCI)C2)[C@H]1CO 2306799455 NSBZXFYOUCMUBM-BYNSBNAKSA-N 454.349 1.892 50 10 JDGE N#CC1=C(N)n2c(s/c(=C/c3ccccc3[N+](=O)[O-])c2=O)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 1786455 MWOHUPUTVRGPOP-XSORJCKLSA-N 472.442 1.678 50 10 JDGE Cn1cc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c2ccccc21 10737018 FZLHQTHIDFLWNP-INIZCTEOSA-N 456.524 1.710 50 10 JDGE COc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)[C@@H](C)Cl)CC3)n2)CC1 35926261 JIZRIXZDCVXVFP-QGZVFWFLSA-N 474.993 1.377 50 10 JDGE O=C(NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-])c1ccc(F)cc1 40657944 BHUHHTMGTSJXCK-UHFFFAOYSA-N 456.350 1.946 50 10 JDGE CC[C@@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 102213762 OCZLAKAMOSUOEB-GWKCUNSKSA-N 451.029 1.798 50 10 JDGE N#C/C(=C/N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 217006835 OYIKKTKUZOQUQW-VKAVYKQESA-N 469.523 1.226 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=S)NCC2CCC2)cc1 1640367576 GVLDJFIXZFRDBW-GOSISDBHSA-N 452.602 1.728 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccc(Cl)c(B(O)O)c1)Cc1ccccc1 2256638320 DRJSAIXJYJXHLD-UHFFFAOYSA-N 461.755 1.985 50 10 JDGE CN(CC1(Oc2ncc(B(O)O)cn2)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 2270923121 YBMNZLLSCKFJJH-UHFFFAOYSA-N 456.352 1.437 50 10 JDGE Cc1cc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)sc1B(O)O 2272027425 AVPWNQIRBZATOY-UHFFFAOYSA-N 483.396 1.323 50 10 JDGE O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNNC(=O)c1ccccc1O 2296124720 QJVNGHFLPMZBHF-UHFFFAOYSA-N 450.398 1.977 50 10 JDGE COc1ccc(CC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)Cc3ccc(OC)cc3)cc2)cc1 100040461 QRWPEVUDQYIWES-UHFFFAOYSA-N 490.516 1.711 50 10 JDGE C[C@@H]1[C@H](OC(=O)CCC(=O)NN2CCOCC2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254499777 FBQSKFBDDWKIAP-URTQXDBRSA-N 468.547 1.881 50 10 JDGE C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)c1cccnc1Oc1ccc(F)cc1Br 729276282 AYUCRCDNEXLJRY-VIFPVBQESA-N 475.296 1.474 50 10 JDGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 751290229 LLQJJKFTYVNBLU-FQEVSTJZSA-N 490.607 1.498 50 10 JDGE COc1cc(C=NNC(=O)CSc2nnc(CCc3ccccc3)n2N)c([N+](=O)[O-])cc1O 1083964192 PFOZEVYLJMYZQE-UHFFFAOYSA-N 471.499 1.642 50 10 JDGE C#CCOc1ccccc1NC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1676479684 ACZPUQJLJPETHB-UHFFFAOYSA-N 458.496 1.186 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(C1)OCCC[C@H]2Br 1997314912 TZHOQCRYXVIAQJ-OAHLLOKOSA-N 457.346 1.631 50 10 JDGE CN(C)CCN(CCBr)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2038020873 MFFRXXTYNSJAHR-UHFFFAOYSA-N 474.421 1.897 50 10 JDGE CC(NNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)=C1C=C(Cl)C=CC1=O 2060439778 XTBADDXVVRODHD-UHFFFAOYSA-N 450.948 1.393 50 10 JDGE Cc1sc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(C)c1B(O)O 2282465696 JHIATWGCDDOOGT-IBGZPJMESA-N 487.431 1.896 50 10 JDGE Cn1cc(C(=O)NNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc21 15092881 NIUQDEAZISTWOH-UHFFFAOYSA-N 497.577 1.253 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)C[C@H]1O 2116224628 LOSTUPJWKRZKMI-MRVWCRGKSA-N 456.403 1.344 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H]2OCCC[C@@]2(CBr)C1 2216719698 DIEAEGCEJSVMJI-CRAIPNDOSA-N 457.346 1.488 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=Nc2ncc(Br)cc2B(O)O)C1 2240336032 GBNGAVKDNAFXAL-KHXSAUHESA-N 462.175 1.653 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2ccc(B(O)O)cc2)C1 2255667237 HDZAVLUXRDNEHA-UHFFFAOYSA-N 462.333 1.108 50 10 JDGE Cc1ccc(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1 2268644314 OSXKNTDAEUZPNB-IBGZPJMESA-N 456.304 1.640 50 10 JDGE CN(C[C@]1(O)CCCN(S(=O)(=O)N2CCC(Br)CC2)C1)C(=O)OC(C)(C)C 2286323187 CSWNNUAFUYHCGM-QGZVFWFLSA-N 470.430 1.784 50 10 JDGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 2314109184 HEGHKLVFQGBYHH-GOSISDBHSA-N 452.536 1.779 50 10 JDGE COc1ccc(CCNC(=O)C(C#N)=CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 2324788251 UKSRIDUWJAMFIC-UHFFFAOYSA-N 454.552 1.768 50 10 JDGE O=C(N/N=C/c1ccc2c(c1)OCO2)c1nonc1C(=O)N/N=C/c1ccc2c(c1)OCO2 59503399 FXMLTCYJBQOUOH-KVJLFNRQSA-N 450.367 1.055 50 10 JDGE O=C(NN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1ccc2c(c1)C(=O)OC2=O 97972986 HDXYIKNORXQSPX-UHFFFAOYSA-N 471.425 1.928 50 10 JDGE COc1ccc([C@H](C)NC(=O)/C(C#N)=C\N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1OC 242951158 HEZFBCVOJKGOHH-LPHOPBHVSA-N 464.588 1.339 50 10 JDGE COc1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1OC 1084182410 BBGBSWXQSNOBSZ-UHFFFAOYSA-N 473.490 1.960 50 10 JDGE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C 1540331049 HHQKNLGFOCMQDB-CQSZACIVSA-N 451.549 1.356 50 10 JDGE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)CN(S(=O)(=O)CI)CCO2 1983331004 UNEWTMPGMRWBGH-CQSZACIVSA-N 460.334 1.811 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCOC[C@@H](Br)C1 2000532651 LKGXWKKSBRARDM-YVEFUNNKSA-N 463.325 1.436 50 10 JDGE CC(C)(C)OC(=O)N1CC(N([C@H]2CCOC2)S(=O)(=O)N2CCC(Br)CC2)C1 2163054768 AHYUFWFMESZRBJ-AWEZNQCLSA-N 468.414 1.801 50 10 JDGE O=C(OCc1ccccc1)N1CC(F)(F)C[C@H]1COc1ncc(Br)cc1B(O)O 2231650427 KSQZWBSQYGUMBA-AWEZNQCLSA-N 471.063 1.949 50 10 JDGE O=C(NCCNS(=O)(=O)c1cccc(B(O)O)c1)OCC1c2ccccc2-c2ccccc21 2243398820 HIFFFTAGHYFYKL-UHFFFAOYSA-N 466.324 1.183 50 10 JDGE Cc1cc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)sc1B(O)O 2256621166 RDQXLTSQQXHKAS-MAUKXSAKSA-N 462.377 1.851 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 1448732787 ZSZDVVSCBGGCPS-CYBMUJFWSA-N 453.904 1.436 50 10 JDGE CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 1463618986 WOAXSNRWCOLODT-HXUWFJFHSA-N 458.540 1.876 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1872962632 VDUBHCRVPFBWGY-SJORKVTESA-N 465.510 1.588 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CI)C2(CCOCC2)C1 1983327768 QAXUEXREFGHVGC-LLVKDONJSA-N 460.334 1.714 50 10 JDGE C[C@H](Br)[C@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCO1 2053850399 OHHXVBRJQUDEQQ-PNPHSEOMSA-N 477.352 1.825 50 10 JDGE CN(Cc1ccc(B(O)O)s1)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2268630140 GSKAHIHWKQWSAQ-KRWDZBQOSA-N 476.360 1.413 50 10 JDGE Cc1sc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2268639122 MRBGFALRUFEMHR-SFHVURJKSA-N 475.420 1.686 50 10 JDGE CC[C@@]1(NS(=O)(=O)c2cscc2B(O)O)CCCN(C(=O)OCc2ccccc2)C1 2282736832 WJDKOOVLTPTFBM-LJQANCHMSA-N 452.363 1.288 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccccn3)c2N)cc1 40759497 JVCZWCDFSVINMU-UHFFFAOYSA-N 456.532 1.985 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)CC(=O)NNC(=O)c2cc(-c3cccs3)[nH]n2)cc1F 1137965585 VAIXZCUQEKFNBS-UHFFFAOYSA-N 450.473 1.715 50 10 JDGE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1544598312 SPTSGJYEHOAPDQ-MRXNPFEDSA-N 456.524 1.666 50 10 JDGE COC[C@H](Br)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 1978676021 HZENTLJTFRYTJU-BDJLRTHQSA-N 451.314 1.340 50 10 JDGE Cc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Br)sc1Br 2121367734 JHKNKSMGFAKEAF-RNFRBKRXSA-N 453.199 1.658 50 10 JDGE Cc1ccc(B(O)O)cc1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2267312584 BVQCJQVMHGARIO-UHFFFAOYSA-N 454.332 1.299 50 10 JDGE O=C(NC1CC2(C1)CN(S(=O)(=O)c1cc(Cl)c(B(O)O)s1)C2)OCc1ccccc1 2282354280 OKECSRUWSUOMGL-UHFFFAOYSA-N 470.765 1.161 50 10 JDGE CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 9930958 GBDUCNJDRDYQBS-OAHLLOKOSA-N 499.998 1.356 50 10 JDGE C#CCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1182149321 MPDCXAGFSGFERH-UHFFFAOYSA-N 457.508 1.184 50 10 JDGE Cc1nc(I)c(I)n1Cc1occc1C(=O)NN 2028585045 BUOIRGMSUAPCQE-UHFFFAOYSA-N 472.024 1.646 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)NCc2ccccc2B(O)O)CCN(Cc2ccccc2)C1 2268633683 UHPXFRVRYRLJFQ-XMMPIXPASA-N 453.348 1.152 50 10 JDGE C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1cc(B(O)O)cs1 2268633777 ULNWHGOVWSVFIE-QMHKHESXSA-N 473.404 1.775 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cccc(Cl)c2B(O)O)C1 2283097951 RCBRALSKEBYOQF-SFHVURJKSA-N 487.793 1.871 50 10 JDGE COc1ccc([C@@H](C)NC(=O)C(C#N)=CNCCc2ccc(S(N)(=O)=O)cc2)cc1OC 2325045465 CCPJQCVRWOVAGD-OAHLLOKOSA-N 458.540 1.768 50 10 JDGE CC(C)(C)OC(=O)NCC1(Oc2cc(B(O)O)c(F)cn2)CCN(Cc2ccccc2)CC1 2343958688 QJLGLRHDHRKXFM-UHFFFAOYSA-N 459.327 1.839 50 10 JDGE CCOC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)/C=C\c2ccccc2OC)c2ccccc21 254319757 ZUGHJIRLVPDEHV-JOVSSGOMSA-N 464.478 1.255 50 10 JDGE COC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@@H](Br)[C@H](OC)N1C(=O)OC(C)(C)C 1531865227 CRKMKFBLFUROCW-WVZRYYJFSA-N 479.368 1.912 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@H](CBr)C1 2000541211 HUEZIDMGKCIVSU-PXAZEXFGSA-N 463.325 1.436 50 10 JDGE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](COc2ncc(Br)cc2B(O)O)C1 2240281286 RLGRMUODNOBXQT-JTQLQIEISA-N 451.073 1.795 50 10 JDGE Cc1cc(B(O)O)c(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc1Cl 2266859960 ZHEBGCOMMUJSFH-UHFFFAOYSA-N 485.774 1.476 50 10 JDGE C[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1 2268640261 VGWUAZOGVPLZCV-UTKZUKDTSA-N 455.364 1.569 50 10 JDGE COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 15244502 RMUPRVBUQOZTJZ-UHFFFAOYSA-N 492.513 1.855 50 10 JDGE O=C(O)[C@H](CCSSCC[C@@H](NC(=O)C(F)(F)F)C(=O)O)NC(=O)C(F)(F)F 38380857 YAJJPBDKGWHGFJ-OLQVQODUSA-N 460.374 1.411 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)[C@@H]2Cc3ccccc3O2)cc1 748279392 IPLHOOZNHUJJGD-CTNGQTDRSA-N 471.535 1.584 50 10 JDGE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NNC(=O)C(C)(C)C)n1N 1084489768 KIDQMFXKKFBXPV-UHFFFAOYSA-N 450.573 1.118 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc(C)c(O)c3)CC2)cc1 1161760028 UYJFKDNJKNJCGP-UHFFFAOYSA-N 459.524 1.765 50 10 JDGE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CI)CC12CCOCC2 1983329344 IQCZQWBGJJJPAE-NSHDSACASA-N 460.334 1.857 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H]2OCCC[C@]2(CBr)C1 2216719700 DIEAEGCEJSVMJI-QAPCUYQASA-N 457.346 1.488 50 10 JDGE Cc1cc(S(=O)(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1B(O)O 2243412064 FYMYATDALBLSBD-UHFFFAOYSA-N 486.380 1.553 50 10 JDGE CN(C)S(=O)(=O)N1CCC(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2Br)CC1 2278338325 VLSJRSQNAFBSGI-ZIAGYGMSSA-N 456.403 1.657 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cccc(B(O)O)c2F)C1 2282326582 VDZSBHAKDQFLQB-SFHVURJKSA-N 471.338 1.357 50 10 JDGE Cc1sc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(C)c1B(O)O 2282465702 JHIATWGCDDOOGT-LJQANCHMSA-N 487.431 1.896 50 10 JDGE C[C@@H](OP(=O)(O)O)[C@H](NC(=O)CCCCCCSSCCS(=O)(=O)O)C(=O)O 3869539 OBGQLHXSMIBYLN-PWSUYJOCSA-N 483.523 1.273 50 10 JDGE in-vitro CCOc1cccc(-c2c(C(=O)NN=Cc3cccc([N+](=O)[O-])c3)nnn2-c2nonc2N)c1 254441454 RORAHZOPCQKGLD-UHFFFAOYSA-N 463.414 1.970 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3nccc4sccc34)c2)CC1 1641287413 GWOPKPJVFLBMHJ-UHFFFAOYSA-N 459.553 1.906 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1872962630 VDUBHCRVPFBWGY-IAGOWNOFSA-N 465.510 1.588 50 10 JDGE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCC(Br)CC2)[C@@H](S(C)(=O)=O)C1 1877658149 GRRQOJSWVDFCGB-STQMWFEESA-N 454.387 1.588 50 10 JDGE C[C@@H]1CN(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C[C@@H](C)N1C(=O)OCc1ccccc1 2195882980 GKOXVQCWQVESNR-XYVMCAHJSA-N 457.980 1.238 50 10 JDGE CC(C)(C)OC(=O)NCC(CO)(CO)NS(=O)(=O)c1ccc(CBr)cc1 2265767255 DMINMVOIXPWRQB-UHFFFAOYSA-N 453.355 1.108 50 10 JDGE CN(Cc1cccc(B(O)O)c1)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268624257 SJMJGAXQEAZTDF-UHFFFAOYSA-N 455.364 1.352 50 10 JDGE Nc1cc(=O)nc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)cc1 59060679 BXANKNFCUOGTGL-UHFFFAOYSA-N 474.886 1.930 50 10 JDGE CCNNC(=O)[C@H]1[C@@H](CO)[C@@H](O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 105090761 CPTIBDHUFVHUJK-JAPHVTHTSA-N 474.510 1.485 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCN2C[C@H](Br)C[C@H]2C1 703958202 NCOMCVLWZQZYMH-KGLIPLIRSA-N 456.362 1.156 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1COCC[C@@H]1Br 710860707 ZEDRPAASRWWSCJ-GJZGRUSLSA-N 459.362 1.781 50 10 JDGE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(=O)COc1ccccc1)CCC2 1772749599 NIIXSXCNBOVZJW-UHFFFAOYSA-N 454.527 1.886 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1cc(Cl)ccc1B(O)O)Cc1ccccc1 2256638573 IDQUCHWILPCCDF-UHFFFAOYSA-N 461.755 1.985 50 10 JDGE Cc1cc(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2268652876 XIEAWNWFLUMQLU-IBGZPJMESA-N 456.304 1.640 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1c(F)cccc1B(O)O 2289665978 RZRHLXOSGHKWFR-KKSFZXQISA-N 474.338 1.663 50 10 JDGE CCCOc1c(OCC)cc(C=NNC(=O)CSc2nnc(O)nc2O)cc1[N+](=O)[O-] 2323176670 XWRFGUBFNBIREZ-UHFFFAOYSA-N 452.449 1.621 50 10 JDGE CN(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1 254468457 YXAXUMNEQHRNJA-UHFFFAOYSA-N 462.430 1.638 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc3c(c2)OCO3)c1-c1ccc([N+](=O)[O-])cc1 254792312 VBKQKJKMIJKVIQ-UHFFFAOYSA-N 463.370 1.300 50 10 JDGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 726276720 LMYQRRUMRWVTOW-UHFFFAOYSA-N 464.519 1.774 50 10 JDGE CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 728372069 IMNKCSAHRXMJDW-ABAIWWIYSA-N 464.371 1.720 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@H](Br)C[C@]2(CCCO2)C1 1924281063 OTKVLJLTEVLEPY-FZKQIMNGSA-N 457.346 1.631 50 10 JDGE Cc1nc(I)c(I)n1CCCCCC(=O)NN 1941544326 YAIGWHBJKZFINH-UHFFFAOYSA-N 462.073 1.951 50 10 JDGE CO[C@H]1[C@@H](CBr)N(C(=O)c2cc(I)sn2)C[C@H]1OC 2225084027 RFDVDXALJBVSEN-MRTMQBJTSA-N 461.119 1.997 50 10 JDGE O=C(NCC(=O)N1CCc2sc(B(O)O)cc2C1)OCC1c2ccccc2-c2ccccc21 2243664651 NHMMUAZSOOSIBN-UHFFFAOYSA-N 462.336 1.851 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(F)c(B(O)O)cc2F)C1 2282702488 JEFSFBYRARAHFU-UHFFFAOYSA-N 476.285 1.269 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 14645271 HWLVUYOAPYWLRK-SNVBAGLBSA-N 466.343 1.752 50 10 JDGE O=C(NNc1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl 40613481 PODPBIXXQQMLES-UHFFFAOYSA-N 456.290 1.563 50 10 JDGE CCCOc1c(OC)cc(/C=N\NC(=O)c2cc(C)nn2-c2nnc(C)c(=O)[nH]2)cc1OC 169921265 QEJCNMUEOUMLIO-JJFYIABZSA-N 455.475 1.537 50 10 JDGE COCCCNC(=O)CC(=O)NN=Cc1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 725406855 ATBLCOJCBZEZET-GOSISDBHSA-N 454.527 1.936 50 10 JDGE Cc1occc1C(=O)NC1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 727472789 ASDJJVOXFDIJRK-UHFFFAOYSA-N 462.532 1.130 50 10 JDGE O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)NC[C@@H]1CCCO1 1084164259 GRHFPJVTIMNZLO-IBGZPJMESA-N 469.454 1.358 50 10 JDGE CC1(C)OC[C@@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)[C@H]1Br 2078733583 NSGAXYJERSTFAD-LBTNJELSSA-N 477.352 1.871 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268648381 YKZSSBBMTNQIPY-MGPUTAFESA-N 458.320 1.812 50 10 JDGE C[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2268649548 JNHISGNLVJNFMU-LAUBAEHRSA-N 455.364 1.569 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N1CCc2ccc(B(O)O)cc21 2268679598 GOFRUGUOMIBLQS-FQEVSTJZSA-N 454.332 1.756 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2ncc(B(O)O)cc2Cl)C1 2287638452 KSGCKMGAPTWSQO-UHFFFAOYSA-N 498.773 1.001 50 10 JDGE CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C(=O)NC[C@H]2CCCO2)CC1 2297462319 XWDRUCBKYJIGRS-LJQANCHMSA-N 450.543 1.347 50 10 JDGE COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1N 58990313 SHKKFZUKIPZKEP-AWQFTUOYSA-N 472.443 1.726 50 10 JDGE CC(=O)N1CCN(c2ccccc2CNC(=O)NNC(=O)c2cc(Br)cn2C)CC1 726275220 ZBVFFKKUIVYJPZ-UHFFFAOYSA-N 477.363 1.600 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(Br)c2)cc1 1566161472 GZBFOCHYDBFIEV-UHFFFAOYSA-N 454.302 1.391 50 10 JDGE COC[C@@H](CBr)NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 1978675577 DYNCOUXVDRYVQC-BZNIZROVSA-N 451.314 1.340 50 10 JDGE OB(O)c1c(I)ccc(I)c1I 2060203156 VZHCTBSHZMGGSE-UHFFFAOYSA-N 499.620 1.180 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2268603133 OJLYRPWYERVTKJ-UHFFFAOYSA-N 457.336 1.340 50 10 JDGE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1 20924029 XNTXLIYBAWSURZ-LSHDLFTRSA-N 471.474 1.730 50 10 JDGE CCOc1ccc(C(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 254512407 MNKCNZFIBAXPCL-UHFFFAOYSA-N 483.518 1.206 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(B(O)O)ccc1Cl 704296141 WJNMFGPTWGZZQB-UHFFFAOYSA-N 450.709 1.084 50 10 JDGE C=CCNC(=O)CN1CCN(C(=O)CCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)CC1 919976470 MBVRAQSJWRAJLM-UHFFFAOYSA-N 450.543 1.103 50 10 JDGE C#CCCCC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1652536373 NKOZIKVBFYGWDK-UHFFFAOYSA-N 459.572 1.631 50 10 JDGE Cc1ccc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(SC#N)cc2)cc1S(=O)(=O)N(C)C 1866638583 KQALDTMEQJXFHP-KRWDZBQOSA-N 462.553 1.548 50 10 JDGE Cc1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)ccc1B(O)O 2266945638 LJRNDJAMROHMPQ-UHFFFAOYSA-N 465.356 1.166 50 10 JDGE Cc1ccc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1B(O)O 2278704473 SXOGLEDCUSOQFZ-HXUWFJFHSA-N 456.348 1.791 50 10 JDGE CCc1cc(B(O)O)ccc1NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283988369 UVDXTPJAKXYCQO-FQEVSTJZSA-N 470.331 1.894 50 10 JDGE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 21204378 RGTQEBBDGLPRJI-IBGZPJMESA-N 489.594 1.987 50 10 JDGE O=C(CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 379435631 UJGCCUVYDXTQFX-QLFBSQMISA-N 478.976 1.010 50 10 JDGE COc1cccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1 1084474995 BVSPNHFCDFUWAD-FQEVSTJZSA-N 454.483 1.458 50 10 JDGE C#CCOc1ccc(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 1681325733 JIADPIQUWIEHBT-UHFFFAOYSA-N 456.524 1.627 50 10 JDGE COc1cc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc(OC)c1OC 1872962046 OZAIOZQKROJXKO-IAGOWNOFSA-N 497.552 1.842 50 10 JDGE Cc1nc(I)c(I)n1Cc1cc(C(=O)NN)no1 2028585366 GCFUQJIOCMAURB-UHFFFAOYSA-N 473.012 1.041 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(S(=O)(=O)N2CCC(Br)CC2)C1 2106764119 FULWWKHMCJLCMG-OAHLLOKOSA-N 456.359 1.144 50 10 JDGE Cc1cc(B(O)O)c(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)s1 2256618970 UNGGLYUWEJOWLY-GOSISDBHSA-N 461.393 1.378 50 10 JDGE CN(Cc1ccccc1B(O)O)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268716564 FNLNBYDAQIASJG-HXUWFJFHSA-N 456.348 1.825 50 10 JDGE Cc1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c1B(O)O 2281745750 QRELTYHPRPHUFA-HXUWFJFHSA-N 467.375 1.526 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)N2Cc3ccc(B(O)O)cc3C2)CCN(Cc2ccccc2)C1 2284058083 HYZXRFALOJZDGE-RUZDIDTESA-N 465.359 1.378 50 10 JDGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2296720850 DHJKXAXFYUSTGE-MRXNPFEDSA-N 468.466 1.836 50 10 JDGE Cc1cccn2c(=O)c(C=C(C#N)C(=O)NCc3ccccc3)c(N3CCC(C(N)=O)CC3)nc12 2296849774 REBZMDIRLUDKHU-UHFFFAOYSA-N 470.533 1.928 50 10 JDGE C=CC[C@]1(C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)CCCN1C(=O)OC(C)(C)C 1450222190 ABFVJCJOUMFOQA-WAIKUNEKSA-N 456.499 1.931 50 10 JDGE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 1463542317 VWPVAFTWSMXINN-AWEZNQCLSA-N 453.565 1.990 50 10 JDGE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=Nc1ncc(Br)cc1B(O)O 2231672786 SZBSAKHKMNQFMR-SANMLTNESA-N 450.164 1.558 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)Cc1ncsc1B(O)O 2247881034 PZEHJSGBLITODL-UHFFFAOYSA-N 469.394 1.070 50 10 JDGE Cc1csc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c1B(O)O 2268719146 ZHJNKHIDKGVODY-QHCPKHFHSA-N 473.404 1.522 50 10 JDGE CC(C)(C)OC(=O)N1CC(COCc2ccccc2)(C(=O)Nc2ccc(B(O)O)c(F)c2)C1 2268789718 COHRPOKGJDTEFB-UHFFFAOYSA-N 458.295 1.898 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2OC[C@H](CBr)[C@H]2C1 2310017323 ZTRBDJSIGIWYMD-IAOVAPTHSA-N 471.373 1.734 50 10 JDGE N#CC(=CNCCc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 2325449034 IOIDXEJOLRKPIQ-UHFFFAOYSA-N 453.568 1.218 50 10 JDGE O=C(CCC(=O)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccccc1 13976692 CRRIJYAMZXCFJX-UHFFFAOYSA-N 463.903 1.980 50 10 JDGE O=C(O)[C@H](CCSSCC[C@H](NC(=O)C(F)(F)F)C(=O)O)NC(=O)C(F)(F)F 38380856 YAJJPBDKGWHGFJ-WDSKDSINSA-N 460.374 1.411 50 10 JDGE COC(=O)C=c1sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccc(F)cc1)C=2C(=O)Nc1cccc(C)c1 254486885 JQCVVQCRHXKLMN-FQEVSTJZSA-N 490.516 1.549 50 10 JDGE N=C1N=C([C@@H]2CCNC(=O)C3=NC(Br)=C(Br)[C@@H]32)[C@@H](Br)N1 604933997 BNSZOWGZZQSFNA-SZCZFYPKSA-N 467.947 1.852 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCC[C@H]1COC[C@H]1Br 2002395636 HDSKSYXUSYPLSW-XJKSGUPXSA-N 459.362 1.782 50 10 JDGE Cc1cc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)oc1B(O)O 2267361332 ACROPVIYRUFBIO-GOSISDBHSA-N 457.336 1.119 50 10 JDGE O=C(NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1)c1cc(F)c(B(O)O)cc1F 2282071165 NXFKRLQJEUCXOW-UHFFFAOYSA-N 466.293 1.846 50 10 JDGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 2313892729 DQLMMIROIBMVPU-HNNXBMFYSA-N 472.523 1.381 50 10 JDGE COc1cc(/C=N/Nc2nc(S[C@H](C)C(=O)NNC(=O)C(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59881597 JPRGOEGFMNNVCW-NKXMEUTISA-N 466.480 1.157 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@@H]2COC[C@@H]12 2106773439 LEYKITLDBBSOQC-BFHYXJOUSA-N 454.387 1.314 50 10 JDGE Cc1csc(C(=O)N(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1B(O)O 2255582089 SZGSENUKBFQVDL-UHFFFAOYSA-N 460.361 1.361 50 10 JDGE COc1cc(B(O)O)c(C(=O)NCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 2267430626 NUVTWMBSNYBVCY-UHFFFAOYSA-N 490.321 1.652 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCc3cc(B(O)O)ccc32)CCN(Cc2ccccc2)C1 2283950826 PIOMEPPKTQURHL-VWLOTQADSA-N 465.359 1.425 50 10 JDGE Cc1c(B(O)O)cccc1C(=O)NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1 2287639358 KRIIBHCMWOVLSY-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)Nc1ccc(OCC)cc1 13997464 CYCJJOFEIVRODM-UHFFFAOYSA-N 452.533 1.559 50 10 JDGE COc1ccccc1C(=O)NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-] 40658032 FPXDELKNEBMKPE-UHFFFAOYSA-N 468.386 1.815 50 10 JDGE COc1cccc(N(CC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)c1 254742354 VUNCMOSCJCISBU-UHFFFAOYSA-N 451.501 1.637 50 10 JDGE COc1cccc(C=NNC(=O)c2c(-c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)c1OC 254844225 CPAIWZXDMIYZBO-UHFFFAOYSA-N 479.413 1.589 50 10 JDGE O=C(NNc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCC4(CC3)OCCO4)C2)C1 1872961880 NCPMKVBCJUIEBR-QZTJIDSGSA-N 471.558 1.298 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H](CBr)C[C@H]2OCC[C@H]21 2108232788 AYHNSHGIHZLMTM-GJZVTGKDSA-N 489.363 1.967 50 10 JDGE O=S(=O)(c1cnn(CCBr)c1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 2179813799 YUDDFQLKXXXVPV-QZTJIDSGSA-N 455.378 1.552 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2sccc2B(O)O)C1 2255515878 DCWZCBPZXWAQNO-QGZVFWFLSA-N 459.377 1.279 50 10 JDGE Cc1sc(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c(C)c1B(O)O 2255553771 CKZUKAPONPIWCT-UHFFFAOYSA-N 471.385 1.193 50 10 JDGE CN(CCOCCI)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2306801951 KWDVJCKBKHOKGV-UHFFFAOYSA-N 455.337 1.449 50 10 JDGE Cc1ccc(S(=O)(=O)NCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 4131159 GVVUSUUNNDYFGC-UHFFFAOYSA-N 451.302 1.508 50 10 JDGE CCOC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1I 59246678 BZWHULXTCHMKSH-VXLYETTFSA-N 475.283 1.015 50 10 JDGE Cn1cc(Br)cc1C(=O)NNC(=O)CNC(=O)c1ccc(Br)s1 108056516 RARNXFGNMPNUMO-UHFFFAOYSA-N 464.139 1.803 50 10 JDGE COc1cc(C2=NNC(=O)CC2)ccc1NNC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1858079924 QNVLJNQYDJFCSL-UHFFFAOYSA-N 459.528 1.625 50 10 JDGE CN([C@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)c1c(Cl)cccc1B(O)O 2282732962 NYLAFUXHJXVHMB-SJORKVTESA-N 452.725 1.098 50 10 JDGE C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1cccc(B(O)O)c1 2283966092 ZSPVXYYATRIPST-JXFKEZNVSA-N 470.331 1.570 50 10 JDGE C[C@@H](Cl)C(=O)N1CCC(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169887106 NYCQBVMZSLGNAZ-GFCCVEGCSA-N 450.879 1.706 50 10 JDGE O=C(CNC(=O)c1cccnc1)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254881140 FRSIMWHUOSWMIH-UHFFFAOYSA-N 457.446 1.607 50 10 JDGE CCN1CCC(NC(=O)/C(C#N)=C/c2cn(CCC(N)=O)nc2-c2ccc(OC)cc2)CC1 920851131 AYRWJUBHVZAJLV-NBVRZTHBSA-N 450.543 1.942 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2ccc(Br)cc2)n1)NNC(=O)C(F)(F)F 1084116733 CLWNVZQENKZYET-UHFFFAOYSA-N 466.243 1.815 50 10 JDGE OB(O)c1cc(I)c(I)cc1Br 2059979415 AJVBOMCJXKPXEF-UHFFFAOYSA-N 452.620 1.338 50 10 JDGE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N=c1nc(B(O)O)[nH]s1 2248893031 JIYCXEUHQCWCHG-IBGZPJMESA-N 480.355 1.532 50 10 JDGE CN(Cc1ccc(B(O)O)s1)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2256638569 ICIIRVXWXIRSFY-UHFFFAOYSA-N 461.393 1.413 50 10 JDGE Cc1sc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)cc1B(O)O 2267041796 MMRICEBDDSILSF-GOSISDBHSA-N 473.404 1.588 50 10 JDGE O=C(NC[C@@H](NS(=O)(=O)c1cc(Cl)c(B(O)O)s1)C(F)(F)F)OCc1ccccc1 2282367672 FMCSRBCUXKUGAP-LLVKDONJSA-N 486.686 1.217 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c1B(O)O 2282380226 GDCOOHPUDXGFAH-MRXNPFEDSA-N 452.363 1.076 50 10 JDGE COc1ccc(/C=N/Nc2nc(S[C@H](C)C(=O)NNC(C)=O)n[nH]2)cc1OCn1cccn1 59880173 ZXAYKXVRMDWWOL-HMASQMOLSA-N 473.519 1.140 50 10 JDGE COc1ccc(CCC(C)=NNC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 254554881 HNDPLOVCGFTKRY-UHFFFAOYSA-N 497.545 1.400 50 10 JDGE C[C@@H](Br)CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2050838894 IMZXSGINBUTUJO-OAHLLOKOSA-N 472.405 1.794 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(C2COC2)S(=O)(=O)N2CCC(Br)CC2)C1 2106782276 PHWMQFFFWGVMEP-UHFFFAOYSA-N 454.387 1.411 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(C1)OCCC[C@@H]2Br 2108229629 GBELYFAFGWKIEZ-MAUKXSAKSA-N 489.363 1.969 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268641641 CDTXPEPKYCYOPE-IBGZPJMESA-N 457.336 1.339 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N1C[C@H](C)N(C(=O)OCc2ccccc2)[C@@H](C)C1 2282362837 KAVUHHWKHYALPA-KBPBESRZSA-N 452.363 1.156 50 10 JDGE C=CCN1C(=NC=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@H]21 2296564563 OFLMKAIZSDCAEC-XLIONFOSSA-N 490.607 1.526 50 10 JDGE O=C(NNc1ncnc(NNC(=O)c2ccccc2[N+](=O)[O-])c1[N+](=O)[O-])c1ccccc1F 40658030 WVQIDSDIVREZKE-UHFFFAOYSA-N 456.350 1.946 50 10 JDGE Cc1cccc(C)c1OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc1c(C)cccc1C 100096391 PSWDLOLPRRMUJF-UHFFFAOYSA-N 484.553 1.843 50 10 JDGE N#CCCn1cc(/C=C(/C#N)C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)c(-c2ccccc2)n1 918803973 FGQXEOYJZLUOSG-QNGOZBTKSA-N 486.532 1.995 50 10 JDGE CC(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 921058155 AETUEFLQIPZQEP-SFHVURJKSA-N 451.512 1.071 50 10 JDGE CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)OCC(=O)C(C#N)=C1N=c2ccccc2=N1 1615011826 YAWYCIWFQUKTPL-FQEVSTJZSA-N 486.937 1.443 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CBr)C[C@H]21 2079095990 DLFQZRKHHFPQOW-IAOVAPTHSA-N 471.373 1.877 50 10 JDGE Cc1cc(Cl)c(B(O)O)cc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2202848298 GGAOMUXTDOYNDT-UHFFFAOYSA-N 450.709 1.146 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2S(=O)(=O)N1CCC(Br)CC1 2204525600 MOTPEEZZFVLMQG-LSDHHAIUSA-N 468.414 1.801 50 10 JDGE Cc1csc(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c1B(O)O 2268719145 ZHJNKHIDKGVODY-HSZRJFAPSA-N 473.404 1.522 50 10 JDGE Cc1scc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1B(O)O 2320441659 UZVCGJGIWPEQLH-UHFFFAOYSA-N 471.385 1.228 50 10 JDGE CC(=O)N(C(=O)/C(C#N)=C\N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(N)cc1 216940411 VLARQNXPPUGJLX-MNDPQUGUSA-N 467.551 1.871 50 10 JDGE COC(=O)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc(NC(C)=O)cc1 254391402 ZVBFWMQCJZPQAJ-SFHVURJKSA-N 454.399 1.996 50 10 JDGE O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)c1cccc2cccnc12 729351155 WHTGHFDTLRCJLI-UHFFFAOYSA-N 452.414 1.993 50 10 JDGE CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1860770425 HNTDQHBFRKFICU-LBPRGKRZSA-N 489.579 1.551 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2121587915 NLYHMPMUDBCXOB-DLLGKBFGSA-N 489.363 1.682 50 10 JDGE Cc1sc(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2282462399 LECZCUWMFFMSCM-UHFFFAOYSA-N 497.423 1.666 50 10 JDGE Cc1cc(B(O)O)cc(C(=O)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1 2287640870 ZXWAQFRVYGRPOQ-UHFFFAOYSA-N 477.367 1.261 50 10 JDGE CC(C)(C)c1ccc(C(=O)NNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 726710607 IUJMTUVCPWSQOE-UHFFFAOYSA-N 453.547 1.457 50 10 JDGE COc1ccc(C=CC(=O)NNC(=O)COc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1 2040429789 HFCZVCXDXFXLAY-UHFFFAOYSA-N 489.550 1.264 50 10 JDGE O=C(Cc1ccccc1I)N[C@@H]1CS(=O)(=O)C[C@@H]1Br 2121331435 YBUVZZDIFZYIEM-GXSJLCMTSA-N 458.115 1.510 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NS(=O)(=O)N2CCC(Br)CC2)CC1 2162599491 FIZXYRLGXOQCCR-HIFRSBDPSA-N 470.430 1.688 50 10 JDGE CN1CCC(CNC(=O)OC(C)(C)C)(NS(=O)(=O)N2CCC(Br)CC2)CC1 2187399234 QYOBBYRJSRJEIJ-UHFFFAOYSA-N 469.446 1.669 50 10 JDGE Cc1cc(B(O)O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)s1 2282424004 WGBWOKKHVBJQMJ-UHFFFAOYSA-N 497.423 1.666 50 10 JDGE CCOCCOc1cccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 10276437 FCBUWKYTFTZDJU-UHFFFAOYSA-N 462.484 1.725 50 10 JDGE COC(=O)[C@@H](Br)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942089131 OVGDTCZMTLFCSL-AWEZNQCLSA-N 461.334 1.309 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(B(O)O)s2)C1 2255723026 WVECFQQPJHPSHK-QGZVFWFLSA-N 459.377 1.279 50 10 JDGE Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)c(B(O)O)s1 2281635340 YHHVKINWZQSBHL-UHFFFAOYSA-N 498.411 1.061 50 10 JDGE COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3O)n2N)c([N+](=O)[O-])cc1O 58992183 PRHULAWDXCQAGO-DNTJNYDQSA-N 459.444 1.229 50 10 JDGE CN(C)Cc1c(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)nnn1-c1nonc1N 254583082 LOZDLNVGMBQAEK-UHFFFAOYSA-N 497.523 1.911 50 10 JDGE C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3cc(C)ccc3C)[nH]n2)c1 1447162850 LEUNUMWPYBKYAO-UHFFFAOYSA-N 451.508 1.680 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 2268653422 MUNNNQDRQQQOAM-MGPUTAFESA-N 458.320 1.812 50 10 JDGE O=C(OCc1ccccc1)N1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2B(O)O)C1 2282731531 RTWMEJGQOUSSMR-HNNXBMFYSA-N 452.725 1.099 50 10 JDGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1OC 2313892730 DQLMMIROIBMVPU-OAHLLOKOSA-N 472.523 1.381 50 10 JDGE COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2O)cc1I 12502930 NYPOYMSLRCITFX-UHFFFAOYSA-N 471.276 1.955 50 10 JDGE CCN1CCN(C)[C@H](Br)[C@H](N(C)C/C(=C\Cc2ccc(C(N)=O)cn2)OC)C1 642773992 HYLOJEDAZVINMX-DVRKUDKQSA-N 454.413 1.542 50 10 JDGE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NNC(=S)Nc1cccc(Br)c1 1135964959 VMQQCPBYGRJWNQ-UHFFFAOYSA-N 458.382 1.576 50 10 JDGE N#CC1=CCN(C(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)CC1 1295164130 FMNHANLQGYQDQJ-UHFFFAOYSA-N 458.309 1.905 50 10 JDGE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNc1ccccc1S(=O)(=O)N1CCOCC1 1586843735 QCOGUTOSYVHHEO-FQEVSTJZSA-N 458.540 1.124 50 10 JDGE O=C(CNC(=O)c1ccccc1)NNC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O 1860771205 MXDKBLYNBUQUSO-UHFFFAOYSA-N 461.503 1.702 50 10 JDGE Cc1c(I)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1B(O)O 1887521333 YXZUUDQWUVTOMF-UHFFFAOYSA-N 460.121 1.332 50 10 JDGE CN(C)[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C[C@H]1Br 2046024656 CBFSTBRTKKUDSK-IIDMSEBBSA-N 476.368 1.350 50 10 JDGE Cc1cc(NC(=O)[C@H]2C[C@@H]2Br)c(I)cc1S(N)(=O)=O 2231926044 QKYUAWVXVJOPOY-BQBZGAKWSA-N 459.103 1.969 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(B(O)O)c(Cl)c2)C1 2281685737 AGHUFTYLVLAJCY-IBGZPJMESA-N 487.793 1.871 50 10 JDGE CN(Cc1cccc(B(O)O)c1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2283950519 LWBWFUCZKCGYHN-RUZDIDTESA-N 467.375 1.494 50 10 JDGE C/C(=N/NC(=O)COc1ccccc1F)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 59530890 VZPLNPARLYKHMN-UCQKPKSFSA-N 451.476 1.888 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCc3ccccc32)c1O 254870218 QJKVTTMYYKTCTO-UHFFFAOYSA-N 475.469 1.273 50 10 JDGE COc1ccc(OC)c(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1 1084067086 TZBOBGRRBXOYCN-IBGZPJMESA-N 484.509 1.467 50 10 JDGE CCOC(=O)[C@@H]1C2=C[C@H](OC(C)=O)[C@H](Br)C=C2N(C)[C@H]1CN1CCC(=O)CC1 1565503661 AELBDGZUGNLTPQ-XGXHKWSGSA-N 455.349 1.664 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CC[C@H](I)C1 1904287899 WVKNPHDEPZFFIS-LBPRGKRZSA-N 462.309 1.902 50 10 JDGE O=S1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 2177842063 AARPXFFNXFNLLX-IONNQARKSA-N 467.588 1.941 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B(O)O)sn2)CCN(Cc2ccccc2)CC1 2267049951 WFWTWIMTTKYOMM-UHFFFAOYSA-N 474.392 1.112 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3cc(B(O)O)ccc32)CCN(Cc2ccccc2)C1 2283950825 PIOMEPPKTQURHL-RUZDIDTESA-N 465.359 1.425 50 10 JDGE C[C@H](NC(=O)[C@]1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1)c1nscc1B(O)O 2283985446 IYPOEGBWBGYSAJ-QMHKHESXSA-N 489.403 1.844 50 10 JDGE Cc1nc(NC(=O)[C@@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)ncc1B(O)O 2283986481 QYOVITMZFHTPMW-QHCPKHFHSA-N 470.335 1.247 50 10 JDGE Cc1ncc(B(O)O)c(Sc2cc(I)ccc2Br)n1 2338312671 IGJKNROOILGZBF-UHFFFAOYSA-N 450.892 1.983 50 10 JDGE CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 206642924 FEHUEJISQUOLMH-XGICHPGQSA-N 472.479 1.886 50 10 JDGE C[C@@H]1CCCCN1Cc1c(C(=O)NN=Cc2ccc3c(c2)OCO3)nnn1-c1nonc1N 254290765 LIUADCNHIFZXMW-GFCCVEGCSA-N 453.463 1.100 50 10 JDGE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 254833922 NBTNWAQPHPOOTR-GASCZTMLSA-N 450.455 1.980 50 10 JDGE N#CCCn1cc(/C=C(/C#N)C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(-c2ccccc2)n1 920430767 APTOSWWTZQHNIM-BARSGRSVSA-N 478.578 1.702 50 10 JDGE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962482 UKRXYOOQXFZMKY-QZTJIDSGSA-N 464.526 1.775 50 10 JDGE COC(=O)[C@@H](I)CNC(=O)c1cc(I)sn1 1983294881 LEZLNUFIVVXBRW-BYPYZUCNSA-N 466.038 1.454 50 10 JDGE O=C(N1C[C@H]2CC[C@H]1[C@H]1CN(S(=O)(=O)CI)C[C@@H]21)C(F)(F)F 1983328449 XKOCYXSRDQRBMQ-KATARQTJSA-N 452.236 1.440 50 10 JDGE Cc1onc(-c2ccc(F)cc2)c1C(=O)OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 728322634 LDGLIBMHNOXOCV-KRWDZBQOSA-N 455.398 1.933 50 10 JDGE O=C(CN1CCOCC1)NN=Cc1cc(Br)c(O)c(I)c1 1084350478 HLOGMLOVXYNGDH-UHFFFAOYSA-N 468.089 1.542 50 10 JDGE COC[C@H](Br)CN(C)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000544844 QERQBZXCRMTTPP-SJKOYZFVSA-N 465.341 1.682 50 10 JDGE CC(N)=C(C#N)C(=O)COC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)cc1 2040475219 CPMYAPPOEULCFM-IBGZPJMESA-N 483.550 1.981 50 10 JDGE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)CCO1 2106767312 OMJAHBJBIIVCEE-JSGCOSHPSA-N 456.403 1.705 50 10 JDGE Cc1sc(Br)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Br 2121367149 FRWPMLPNEFFXRQ-RNFRBKRXSA-N 453.199 1.658 50 10 JDGE COc1ccc(NC(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)cc1B(O)O 2365292107 NKHWEXXNOHEKRT-UHFFFAOYSA-N 470.331 1.767 50 10 JDGE COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 106107585 KKAICOUGHDFGHI-WMZJFQQLSA-N 460.468 1.726 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cc(I)ccc1O 2121336238 FQFTUGQQIHJKJW-BDAKNGLRSA-N 460.087 1.287 50 10 JDGE Cc1cc(S(=O)(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)sc1B(O)O 2243412664 QZJPEAGDXHOTTL-UHFFFAOYSA-N 454.379 1.452 50 10 JDGE C[C@@H](c1nscc1B(O)O)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256675124 OJVSVXWBSRJKPU-WMLDXEAASA-N 463.365 1.452 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@@H]2C1 2260670032 UAHADXVHSSYQBS-JJRVBVJISA-N 471.373 1.877 50 10 JDGE O=S(=O)(Cc1ccccc1B(O)O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 2282736603 SYARHJXEQNECIS-UHFFFAOYSA-N 480.395 1.257 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283962127 JHYUIZKUHYNRDF-SFHVURJKSA-N 472.303 1.340 50 10 JDGE O=C1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCN1CCCl 2364206199 QORPNZDZYBFLKY-UHFFFAOYSA-N 455.964 1.556 50 10 JDGE C#Cc1cccc(NC(=S)NNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)c1 727498879 AQRPKGYCMFWFPP-UHFFFAOYSA-N 453.343 1.709 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)C3CCOCC3)cc2)cc1 1633037677 ZWCANLKGDUEDJG-UHFFFAOYSA-N 459.524 1.555 50 10 JDGE C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccc(CC)cc3)[nH]n2)cc1 1633194082 XMZSYEBIBGKGOG-UHFFFAOYSA-N 451.508 1.625 50 10 JDGE COc1ccc(OCCN2C[C@@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961884 NCXMYAQDNKBVRO-OALUTQOASA-N 481.553 1.699 50 10 JDGE CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ncc(B(O)O)s1 1901529771 ILJOEEHIBFBZOZ-IBGZPJMESA-N 465.340 1.756 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C1 2044689597 UOQGRAWJTISOHG-YYUOZPCZSA-N 460.416 1.856 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)Cc1ccccc1Br 2226106212 UEADPJMECYVHQP-SNVBAGLBSA-N 462.103 1.845 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)c1scc(B(O)O)c1Cl 2255788754 VLCGBLNVUFHROW-UHFFFAOYSA-N 491.803 1.573 50 10 JDGE CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)C1=CNc1ccc(N2CCOCC2)cc1 2296535463 HRURIZXHNRNVLB-UHFFFAOYSA-N 451.527 1.360 50 10 JDGE O=C(NNC(=O)C1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1)c1cccnc1 1858002080 FLUUAXYTKAISGS-UHFFFAOYSA-N 463.494 1.158 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N[C@@H]1CCCN(CCBr)C1 2029232772 LVQGESPAGZTBLT-OAHLLOKOSA-N 472.405 1.842 50 10 JDGE O=S1(=O)C[C@H](Br)[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 2177845716 IIPTXKHMJVKRNR-IONNQARKSA-N 467.588 1.941 50 10 JDGE Cc1ccc(I)c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Br)c1 2232164608 IUJGZOXREYELEQ-MWLCHTKSSA-N 458.115 1.890 50 10 JDGE C/C=C\c1ccc(OCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 35684909 YMWMQIQXAQVAPK-WAYWQWQTSA-N 461.540 1.884 50 10 JDGE COC(=O)c1ccc(COc2ccc(C=NNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2OC)o1 254306556 GLBAKTYAJHSPEA-UHFFFAOYSA-N 457.399 1.909 50 10 JDGE COC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 1084388560 XMQFHROPVNTGJC-UHFFFAOYSA-N 453.904 1.808 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNS(=O)(=O)c3cc(Cl)ccc3OC)cnc2s1 1860770760 WFSNLKFKIPUONW-UHFFFAOYSA-N 456.933 1.692 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C2CCN(S(=O)(=O)CI)CC2)CC1 2007714234 CUPAPGMRCQEBOO-UHFFFAOYSA-N 473.377 1.726 50 10 JDGE Cc1ccc(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)cc1B(O)O 2296180239 KOJYNKPAEVQYBY-VWLOTQADSA-N 467.375 1.460 50 10 JDGE CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 1942097233 GWKMFXYBKPLEFM-CQSZACIVSA-N 458.378 1.404 50 10 JDGE COC1CC(CBr)(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2077902195 KGELQOUZAZWCLE-AFSSOGTRSA-N 477.352 1.873 50 10 JDGE O=C(NOCCCNC(=O)c1ccc(B(O)O)cc1O)OCC1c2ccccc2-c2ccccc21 2255954759 DCOOHJKBLQQAAG-UHFFFAOYSA-N 476.294 1.662 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 1138907704 JBNYQYKPYNGEKI-IBGZPJMESA-N 452.920 1.948 50 10 JDGE Cc1nc(I)c(I)n1Cc1cccc(C(=O)NN)n1 2088987110 FWWNJENCLJZCQW-UHFFFAOYSA-N 483.051 1.448 50 10 JDGE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)N2CCC(Br)CC2)CCO1 2106296807 CDJBJSKYQTUUCT-KGLIPLIRSA-N 456.403 1.752 50 10 JDGE O=C(Cc1ccccc1I)N[C@H]1CS(=O)(=O)C[C@@H]1Br 2121331438 YBUVZZDIFZYIEM-ONGXEEELSA-N 458.115 1.510 50 10 JDGE Cc1scc(C(=O)NCC2(N(Cc3ccccc3)Cc3ccccc3)COC2)c1B(O)O 2320455486 GUAGGCKZHBSQLJ-UHFFFAOYSA-N 450.369 1.938 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(C)c(C)c1 35254030 KFNUHLYTJQBZFF-RPXHZFJKSA-N 492.582 1.779 50 10 JDGE O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCBr 35636566 BBAOPWJWXDYKOL-HLLBOEOZSA-N 482.441 1.273 50 10 JDGE in-vitro NNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 145564310 LOIYZIMLLRKKNS-XGHQBKJUSA-N 484.667 1.055 50 10 JDGE COc1ccc(C=NNc2nc(SCC(=O)NNC(=O)c3ccc(F)cc3)n[nH]2)cc1O 1084573183 RGTCMTLLXVZZRP-UHFFFAOYSA-N 459.463 1.657 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(Br)cc2B(O)O)C[C@H]1C(F)(F)F 2240341456 MAUWEBYXKNIUQA-KOLCDFICSA-N 454.052 1.416 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1B(O)O 2268635202 OQVFHLDTZRTEGB-LAUBAEHRSA-N 456.348 1.823 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccc(B(O)O)c(F)c1F)Cc1ccccc1 2268688278 PXGPSHSIGHVIQR-UHFFFAOYSA-N 463.290 1.610 50 10 JDGE C[C@]1(NS(=O)(=O)c2ccc(B(O)O)cc2Cl)CCN(C(=O)OCc2ccccc2)C1 2282727158 GTKCEVLGWHHTLT-IBGZPJMESA-N 452.725 1.099 50 10 JDGE C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1ccc(B(O)O)cc1 2284059399 TVQIUQKMBOPYFF-CJAUYULYSA-N 467.375 1.713 50 10 JDGE COc1cc(/C=C\C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1OCC#N 35213956 KOLZTQJUMCBOES-XFFZJAGNSA-N 472.523 1.387 50 10 JDGE Cc1cc(S(=O)(=O)NNC(=O)c2cc(F)ccc2Br)ccc1OCC(=O)O 728509285 BIFADLROQDWKMP-UHFFFAOYSA-N 461.265 1.983 50 10 JDGE COc1cc(C=NNC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)c([N+](=O)[O-])cc1O 1084436942 AWIZAPBFXXZUAH-UHFFFAOYSA-N 488.442 1.432 50 10 JDGE Cc1sc2ncn(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)c(=O)c2c1C 1865851490 CUCFKEIEAIXEIX-UHFFFAOYSA-N 467.507 1.540 50 10 JDGE Cc1sc(B(O)O)cc1S(=O)(=O)N(OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 2255757347 TZBFKUUFQJHVTK-UHFFFAOYSA-N 482.389 1.478 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)c2cccc(B(O)O)c2)C1 2255886826 OJPNGZYLINRHCM-UHFFFAOYSA-N 462.333 1.108 50 10 JDGE N#CC(=Cc1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 2296720849 DHJKXAXFYUSTGE-INIZCTEOSA-N 468.466 1.836 50 10 JDGE COC(=O)/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccs1)C=2C(=O)Nc1ccc(C)cc1 33726519 IIKMQABIZDZUNE-GANRHZMWSA-N 478.555 1.471 50 10 JDGE CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2N)ccc1O 58992084 FRAHPTOZGYXCII-UFFVCSGVSA-N 457.472 1.914 50 10 JDGE CC(=O)Nc1ccc(O)c(C(C)=NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 915938703 DTJKKYAHSJVXNY-UHFFFAOYSA-N 460.512 1.526 50 10 JDGE CC(=O)N(CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 1617979699 JKKQSFPKLKXZLL-UHFFFAOYSA-N 458.540 1.675 50 10 JDGE CO[C@@H]1C[C@H](CBr)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046029912 UMCCTHKZXSZFIB-SNUQEOBHSA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2c(Cl)cccc2B(O)O)C1 2255778097 NLMCJRZSLDZRSE-UHFFFAOYSA-N 480.779 1.830 50 10 JDGE CN1C[C@H](Br)[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316819532 ZRIQHGVSCDDGCH-IRXDYDNUSA-N 472.405 1.840 50 10 JDGE O=C(CNC(=O)c1ccncc1)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254841717 TZQMIWVRZARFJW-UHFFFAOYSA-N 457.446 1.607 50 10 JDGE CC(=O)c1cccc(O[C@H](C)C(=O)NNC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1 1294587476 DJZXCFTZZDLXJX-GOSISDBHSA-N 452.511 1.262 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2ccc(B(O)O)cc2)CC1 1965307062 RYWKPLAUPGPVJW-UHFFFAOYSA-N 477.367 1.296 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC(Br)CC2)C1 2044689595 UOQGRAWJTISOHG-MCFWBGNESA-N 460.416 1.856 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Br)c1ccc(I)c(O)c1 2121337244 LQMDUFVTMPFGEM-CBAPKCEASA-N 460.087 1.287 50 10 JDGE C[C@@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)c1nscc1B(O)O 2243918015 ZYTOFWUIYMKMLF-CQSZACIVSA-N 465.340 1.929 50 10 JDGE CN(C)CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(Br)CC1 2265839651 UPKPZSJWFXVJGZ-UHFFFAOYSA-N 457.435 1.479 50 10 JDGE CC[C@@]1(NS(=O)(=O)c2cc(B(O)O)cs2)CCCN(C(=O)OCc2ccccc2)C1 2282513002 XDWRLBMZUJMVGP-LJQANCHMSA-N 452.363 1.288 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1[C@H]2C[C@@H](CN(CCOCCI)C2)[C@@H]1CO 2306799454 NSBZXFYOUCMUBM-AJNGGQMLSA-N 454.349 1.892 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Nc2cc(B(O)O)c(F)cn2)C1 2320799500 OHIADNYJUZGQRW-UHFFFAOYSA-N 454.308 1.169 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(Oc2cc(B(O)O)c(F)cn2)C1 2320805782 VRUHXPLQLGQCPL-UHFFFAOYSA-N 455.292 1.136 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 14645269 HWLVUYOAPYWLRK-JTQLQIEISA-N 466.343 1.752 50 10 JDGE CC(=O)OC[C@@H]1O[C@@H](Cl)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 22054435 YRXSTYGMBJFQAY-QXDIGNSFSA-N 453.831 1.041 50 10 JDGE CCOC(=O)C1CCN(c2ncnc(NNC(=O)c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])CC1 40618823 JTQCWXPKKLKSNT-UHFFFAOYSA-N 459.419 1.829 50 10 JDGE CCCCCC(=O)NC1CCN(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1 748327287 CJASOVVKBDURBQ-UHFFFAOYSA-N 452.581 1.495 50 10 JDGE COc1ccc(C=NNc2nc(S[C@H](C)C(=O)NNC(C)=O)n[nH]2)cc1OCn1cccn1 1083962279 ZXAYKXVRMDWWOL-GFCCVEGCSA-N 473.519 1.140 50 10 JDGE CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN=Cc2ccncc2)c(OC)c1 1083973315 JDCUEHVCWOJPKQ-NRFANRHFSA-N 467.482 1.810 50 10 JDGE CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)C(C#N)=C(C)N)C(C)C)c1 2040416899 HQDFMHIOAYIUAM-FQEVSTJZSA-N 478.571 1.340 50 10 JDGE O=S1(=O)C[C@@H](Br)[C@@H](NS(=O)(=O)Cc2ccsc2Br)C1 2226103869 ZZRZBJIOHBFQMD-SFYZADRCSA-N 453.199 1.491 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)c1cc(B(O)O)cs1 2243393273 PGZAFEQYFYCSLT-UHFFFAOYSA-N 454.379 1.534 50 10 JDGE CC(C)(C)OC(=O)NCCN(CC(=O)NCc1cc(B(O)O)ccc1F)Cc1ccccc1 2268622577 KODWOTURRIGPIV-UHFFFAOYSA-N 459.327 1.149 50 10 JDGE CN(Cc1sccc1B(O)O)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 2268632179 HELGAGJHMQJJMB-QHCPKHFHSA-N 473.404 1.556 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)CN3CCCc4ccccc43)CC2)cc1 17402168 IQSZMDNWSHAZHH-UHFFFAOYSA-N 498.605 1.890 50 10 JDGE O=C(NNc1ncnc(N2CCN(CCO)CC2)c1[N+](=O)[O-])c1ccc(Br)cc1 40613469 LIRXPRKDJVGAAX-UHFFFAOYSA-N 466.296 1.019 50 10 JDGE CC(CCc1ccccc1)=NNC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O 254710625 QEWRTUBVTGFPPI-UHFFFAOYSA-N 488.512 1.682 50 10 JDGE CCc1c(C)[nH]n2cn[n+](CC(=O)NN=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c2c1=O 1084554573 ATOSFJDUDDHAAL-UHFFFAOYSA-O 450.435 1.499 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@H](OCCBr)C1 2046752015 OMYOEVRZYWYZOY-SCLBCKFNSA-N 477.352 1.826 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NC(=O)c2cc(F)ccc2B(O)O)C1 2287638342 CGFDVKLNZLICAK-UHFFFAOYSA-N 481.330 1.092 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2cc(F)c(F)cc2B(O)O)CCN(Cc2ccccc2)C1 2379880682 ZUPRQVAVWUUCKW-HSZRJFAPSA-N 475.301 1.753 50 10 JDGE CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 12502231 UOTWJAMJRZYBAG-UHFFFAOYSA-N 460.428 1.801 50 10 JDGE COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)c1OC 254869998 PARSWVJACCFZAW-UHFFFAOYSA-N 479.413 1.589 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2OC[C@H](CBr)[C@@H]2C1 2008658346 AFOLGFQCSYKDNS-RCBQFDQVSA-N 457.346 1.344 50 10 JDGE NNC(=O)[C@H]1CCC[C@H](Cn2cnc(I)c2I)O1 2073542386 PZOMUNCSLOYLDR-RNFRBKRXSA-N 476.056 1.020 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1B(O)O 2247947634 YPMPEGGQBQWCGL-UHFFFAOYSA-N 468.768 1.735 50 10 JDGE C[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)c1ccc(B(O)O)cc1 2284059401 TVQIUQKMBOPYFF-IQGLISFBSA-N 467.375 1.713 50 10 JDGE N#CC(=Cc1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 2296848693 VCCPJYKYKXGGMX-KRWDZBQOSA-N 455.540 1.285 50 10 JDGE COC(=O)[C@@H](CBr)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2320340565 MVLSHBCPGMZBIP-OAHLLOKOSA-N 475.361 1.699 50 10 JDGE Cn1nc(Br)c(Br)c1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Br 2338687696 BJXCRLRGIMLQEE-RFZPGFLSSA-N 479.976 1.235 50 10 JDGE O=C(NC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13623368 NRMDKTGGCIMXIA-AWEZNQCLSA-N 486.466 1.187 50 10 JDGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)CCC(=O)OCCCc1ccccc1 13999341 KWWQXQWQLJFLNQ-UHFFFAOYSA-N 488.522 1.952 50 10 JDGE CO[C@@]1(CBr)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 703958411 PKXVDLSUHWQBJG-GOSISDBHSA-N 459.362 1.878 50 10 JDGE C=CCNS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccc(Br)cc2)s1 1618419561 SGHDSPLNXGCYFX-UHFFFAOYSA-N 458.359 1.979 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2COC[C@@H](C1)[C@@H]2Br 2015244075 CKDZOWDGWVOPQB-VIKVFOODSA-N 457.346 1.344 50 10 JDGE N#CC(C(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1)=C1NC(=O)c2ccccc2N1 2040482103 IBZBGQJOAAHCQU-UHFFFAOYSA-N 462.485 1.542 50 10 JDGE C[C@@H](Br)CN1CCCN(C(=O)c2cnn(C)c2I)CC1 2176854169 QRFINQZHXSSUSH-SNVBAGLBSA-N 455.138 1.956 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)Nc2ccnc(B(O)O)c2)C1 2268650702 QWYFEWLOOMSPKS-HSZRJFAPSA-N 455.320 1.544 50 10 JDGE O=C(OCc1ccccc1)N1CCC(NS(=O)(=O)c2c(Cl)cccc2B(O)O)CC1 2282354894 AAHKYZLKTJDHEF-UHFFFAOYSA-N 452.725 1.099 50 10 JDGE Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 59942061 OBUOZRPWJIOSKY-UHFFFAOYSA-N 454.468 1.585 50 10 JDGE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NNc3ccc(F)c(F)c3F)c2)CC1 728718273 DQTQDNPQWGPVNF-UHFFFAOYSA-N 456.446 1.714 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)NNS(=O)(=O)c2ccc(Br)cc2)CC1 1858082252 RVNWVWZCEWOILM-UHFFFAOYSA-N 463.354 1.905 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2251275836 MSOGEEQFPVHGDR-ZENOOKHLSA-N 457.346 1.487 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2csc(B(O)O)c2)C1 2255462575 XHXNUSJKDGUHKP-GOSISDBHSA-N 459.377 1.279 50 10 JDGE CC(C)(C)OC(=O)N(CCNC(=O)c1c(F)cc(B(O)O)cc1F)OCc1ccccc1 2255723871 AJKDYUZNNHCBFN-UHFFFAOYSA-N 450.247 1.743 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1c(F)cccc1I 2267701925 ZSUKQKJPBLOBJR-HZGVNTEJSA-N 462.078 1.721 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(Cl)cc(B(O)O)c2)C1 2282154672 LGMHSEKZRUVRQC-NRFANRHFSA-N 487.793 1.871 50 10 JDGE CC(C)n1cc(B(O)O)cc1C(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2282261617 YMFNNTOCZBCHCA-UHFFFAOYSA-N 471.363 1.373 50 10 JDGE N#CC(=CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)NCc1cccnc1 2324744962 IHRKCGWZSVTYKE-UHFFFAOYSA-N 461.931 1.892 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@H](CBr)O2)C1 2336882958 UCFYHVDKGWAEQI-ACJLOTCBSA-N 489.363 1.969 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(CC[C@H](CBr)O2)C1 2336882959 UCFYHVDKGWAEQI-FZKQIMNGSA-N 489.363 1.969 50 10 JDGE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCc3scc(B(O)O)c3C2)CCN(Cc2ccccc2)C1 2361640583 JDQGWEAMEJILDS-DEOSSOPVSA-N 485.415 1.482 50 10 JDGE COc1cc(C(=O)NCC(=O)NN=C2C(=O)N(C(C)C)c3ccccc32)cc(OC)c1OC 254398400 BURZOBCOOBBLMH-UHFFFAOYSA-N 454.483 1.718 50 10 JDGE COc1ccc(-c2cnc(CCC(=O)OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)o2)cc1 728338651 LTQYYLQAHGNWGB-HXUWFJFHSA-N 481.461 1.813 50 10 JDGE CC(C)C[C@@H](C(=O)NNC(=O)CNC(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O 1857965437 LXUORGSDCGVYCM-SFHVURJKSA-N 470.913 1.928 50 10 JDGE CC1(C)CC(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)CC(C)(C)N1 1872962160 QMYMMNOJHIAFHX-QZTJIDSGSA-N 470.618 1.921 50 10 JDGE O=C(N[C@H]1CS(=O)(=O)C[C@H]1Br)c1cc(I)ccc1F 2121333271 KTCDLAHVLDMDAC-SCZZXKLOSA-N 462.078 1.721 50 10 JDGE O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)[C@@H](Br)C1 2177845714 IIPTXKHMJVKRNR-CBAPKCEASA-N 467.588 1.941 50 10 JDGE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(B(O)O)c1 2255943863 XEAULPGIMFVLLW-UHFFFAOYSA-N 462.377 1.613 50 10 JDGE Cc1cc(CNC(=O)C[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)sc1B(O)O 2256599570 XAXQWYLCVKVRRC-KRWDZBQOSA-N 462.377 1.853 50 10 JDGE Cc1csc(CNC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)c1B(O)O 2256623294 QJCNIVYMMROVRK-QGZVFWFLSA-N 461.393 1.378 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@@H]2CC[C@H](CBr)O[C@H]2C1 2260670033 UAHADXVHSSYQBS-VBQJREDUSA-N 471.373 1.877 50 10 JDGE Cc1ccc(B(O)O)c(NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c1 2268632408 JZFGARQQVHFAKF-DEOSSOPVSA-N 453.348 1.783 50 10 JDGE CC(C)(C)OC(=O)NC[C@]1(Oc2ccc(C=O)c(B(O)O)c2)CCN(Cc2ccccc2)C1 2339590620 PPGOVNJQVCLHBL-XMMPIXPASA-N 454.332 1.727 50 10 JDGE C#CCCCC(=O)NNC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1646461650 IPGKDNUSSRQGNQ-MRXNPFEDSA-N 457.556 1.496 50 10 JDGE CCc1cc2c(=O)n(CC(=O)NNC(=O)c3ccc4c(c3)C(=O)N(CC(C)C)C4=O)cnc2s1 1865845928 ZYTIEYSKYWDOLY-UHFFFAOYSA-N 481.534 1.734 50 10 JDGE COc1ccc(OCCN2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872961883 NCXMYAQDNKBVRO-MOPGFXCFSA-N 481.553 1.699 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)[C@@]2(CCCOC2)C1 1983328052 SVHZKXAQUZGXSQ-FZMZJTMJSA-N 460.334 1.857 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H](CBr)C[C@@H]1CCOC1 2019202563 MQTVRDGARPYMEG-KBPBESRZSA-N 459.362 1.782 50 10 JDGE Cc1sc(CNC(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(B(O)O)c1C 2256678931 HRMIMDDEHSHIBC-QGZVFWFLSA-N 462.377 1.771 50 10 JDGE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B(O)O)cn2)CCN(Cc2ccccc2)CC1 2282211025 NUUGMQCJWHLLSN-UHFFFAOYSA-N 468.363 1.051 50 10 JDGE COc1cc(C=NNC(=O)[C@H](Sc2nnc(O)nc2O)c2ccccc2)cc(OC)c1O 2323172716 KIPVQFIQLUSCMW-MRXNPFEDSA-N 457.468 1.989 50 10 JDGE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cn(C)c3ccccc23)c1 26938259 ZFLHTPHQTHEQKE-UHFFFAOYSA-N 464.931 1.831 50 10 JDGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1 726276533 AYVKVGPSPOPWRZ-QFIPXVFZSA-N 485.610 1.370 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@@H]1C[C@H](CBr)CO1 2046023800 VRNBWVXTEPAZNL-VBHSOAQHSA-N 477.352 1.730 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC[C@]1(CBr)CCCO1 2073633990 UYKDZUVVBDONOG-ZWKOTPCHSA-N 477.352 1.874 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(Br)CC2)[C@H]2COC[C@H]12 2106773440 LEYKITLDBBSOQC-MCIONIFRSA-N 454.387 1.314 50 10 JDGE Cc1cc(B(O)O)c(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)s1 2266983791 IDVYGGAOOCKWJZ-UHFFFAOYSA-N 485.412 1.664 50 10 JDGE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC2)c(B(O)O)c1 2267333778 BRNYJJBJLLSHTC-UHFFFAOYSA-N 463.340 1.520 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B(O)O 2268635822 WDJJPGDIZVHLKQ-LAUBAEHRSA-N 456.348 1.524 50 10 JDGE CC(=O)c1ncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)s1 1628561783 OLJJYZCREOUMRJ-UHFFFAOYSA-N 458.521 1.899 50 10 JDGE CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ncccc2B(O)O)cc1I 2180980571 JZLJMZLKVRCBCT-UHFFFAOYSA-N 483.071 1.965 50 10 JDGE Cc1cc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)ccc1B(O)O 2273790952 HYEQDMKMKNBCKO-UTKZUKDTSA-N 456.348 1.790 50 10 JDGE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2289508402 KTRLQFQJWWOLPP-UKRRQHHQSA-N 470.430 1.952 50 10 JDGE COc1cc(C(=O)NNC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 12572542 BOTVOEDOCXLTIN-UHFFFAOYSA-N 464.456 1.335 50 10 JDGE CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(I)c1OCC 1084475031 QHOQBOPHLNKXBF-UHFFFAOYSA-N 461.300 1.871 50 10 JDGE COc1cc(C=NNC(=O)CCCSc2nnc(-c3ccncc3)n2N)c([N+](=O)[O-])cc1O 1084514659 XFTJMLCRKPJIJT-UHFFFAOYSA-N 472.487 1.699 50 10 JDGE CC(=O)N[C@@](C)(C(=O)NNC(=O)NCCc1cccs1)c1ccc(S(C)(=O)=O)cc1 1583493594 DPQBTAWBEMHGNI-LJQANCHMSA-N 452.558 1.076 50 10 JDGE Cc1nc(I)c(NS(=O)(=O)CCCl)c(I)n1 1984092968 KNGRSWQEGHPXOY-UHFFFAOYSA-N 487.488 1.975 50 10 JDGE CN([C@@H]1COC[C@@H]1Br)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000542874 LVOGBXKIYKOSRP-JJRVBVJISA-N 463.325 1.435 50 10 JDGE CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CB(O)O)C(=O)O 2010397198 KKUBXNNVNVMPKK-LVXYXVKQSA-N 468.315 1.982 50 10 JDGE Cc1sc(C(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c(B(O)O)c1C 2255788502 QIAOYJOUPPTKGD-UHFFFAOYSA-N 471.385 1.193 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(B(O)O)n1 2256621275 SDJRWTDXENDEPE-SUMWQHHRSA-N 463.727 1.852 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 2256621303 SQKMWROLQMLCCN-BEFAXECRSA-N 462.377 1.851 50 10 JDGE C[C@H](c1nscc1B(O)O)N(C)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256679890 OJVSVXWBSRJKPU-RHSMWYFYSA-N 463.365 1.452 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cccc(B(O)O)c1 2268633832 UVUXCUJRLPTGRB-NRFANRHFSA-N 455.364 1.350 50 10 JDGE O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NN=Cc1cc2c(cc1[N+](=O)[O-])OCO2 254677306 GNRUWLPDMJFMGY-UHFFFAOYSA-N 490.494 1.427 50 10 JDGE C[C@H](NC(=O)C(=O)NN=Cc1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1 1084512649 OEFKKRPSJJMTGC-LAUBAEHRSA-N 452.511 1.688 50 10 JDGE C#CCN(CC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 1473791909 KJPHVCLFVBCYMF-UHFFFAOYSA-N 459.503 1.691 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H](CBr)C[C@H]1CCCO1 1926747184 WVLWXZMHRUOSDJ-ZIAGYGMSSA-N 459.362 1.925 50 10 JDGE CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(S(=O)(=O)CI)C2)CC1 2007724192 UWKZMCPDBQALAU-ZDUSSCGKSA-N 473.377 1.772 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCO[C@@]2(CBr)C1 2231364955 ZQSHMVATOBWWHT-VMDGZTHMSA-N 489.363 1.826 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)Cc2ccc(B(O)O)cc2)C1 2255760935 YOSJGNZVLQJXBQ-UHFFFAOYSA-N 460.361 1.318 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)ccc2B(O)O)CCN1C(=O)OC(C)(C)C 2267303892 FKVDMZXRMGCBLV-UHFFFAOYSA-N 467.303 1.351 50 10 JDGE Nc1c(NNC(=O)COc2ccccc2)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 40795345 DUSHTNJPCWUGRX-UHFFFAOYSA-N 477.525 1.632 50 10 JDGE C[C@]1(c2ccc(CNC(=O)NNC(=O)c3ccc(Br)cc3)cc2)NC(=O)NC1=O 1321413432 KGLGJQUXAODBPV-LJQANCHMSA-N 460.288 1.648 50 10 JDGE CC(=O)O[C@@H]1[C@@H](C(=O)O)O[C@@H](SS(=O)(=O)c2ccc(C)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O 1848440054 JSYIHTYTALRLEV-CWLGOENISA-N 490.508 1.022 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1873777686 OZGCFIBZBOVCMO-AWEZNQCLSA-N 466.454 1.358 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CI)CC12CCOCC2 1983330578 QZVKVBAFSBLSKE-LLVKDONJSA-N 460.334 1.714 50 10 JDGE O=S1(=O)CCN(S(=O)(=O)c2cc(CBr)sc2Br)CC1 2123200711 LXFFADLGJWDRES-UHFFFAOYSA-N 453.199 1.825 50 10 JDGE O=C1CN(C(=O)c2ccc(I)c(O)c2)CCN1CCBr 2171079554 PSOGFDUWRMOXLF-UHFFFAOYSA-N 453.074 1.676 50 10 JDGE O=C(NC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(B(O)O)s2)C1)OCc1ccccc1 2282367314 AKWMTLLYLSSVQO-CQSZACIVSA-N 472.781 1.408 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)c1B(O)O 2296040273 IBHDCOYTBGEIGP-MRXNPFEDSA-N 452.363 1.124 50 10 JDGE COc1cc(Br)cc(C=NNC(=O)[C@H](C)Sc2nnc(O)nc2O)c1OC 2323157465 KBBQBXKIFBQNJJ-ZETCQYMHSA-N 458.294 1.693 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2COC[C@]2(CBr)C1 2333646987 JFKUAGQMBMBSQI-ZNOIYHFQSA-N 489.363 1.684 50 10 JDGE COc1cc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc(Br)c1OC(C)C 169925010 RHNMYCDARZWBQZ-ZBKNUEDVSA-N 453.293 1.623 50 10 JDGE COC(=O)C1=c2sc(=Cc3ccc(F)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(F)cc1 254508141 DKVJJYTVPPFIIZ-GOSISDBHSA-N 451.454 1.789 50 10 JDGE CC(C)C[C@@H](C(=O)NNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)N1C(=O)c2ccccc2C1=O 1858082231 QMDINNPVOSMBOX-SFHVURJKSA-N 487.557 1.991 50 10 JDGE CC(C)(C)OC(=O)N1CCO[C@]2(CCCN(S(=O)(=O)CI)C2)C1 1983331490 WZWQZYSGQSNDAE-CQSZACIVSA-N 460.334 1.811 50 10 JDGE Cc1ccc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(B(O)O)c1 2281734784 WUCQFHBBTQFWBC-UHFFFAOYSA-N 479.383 1.603 50 10 JDGE CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCOCCI 2306798347 DVHJVVDNJPTUHN-ZDUSSCGKSA-N 455.337 1.495 50 10 JDGE O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nonc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59503384 NEUOASPDUMMLII-LQGKIZFRSA-N 452.343 1.414 50 10 JDGE CCOc1ccccc1C=NNC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 254414648 JZYQZULWLVEVLH-UHFFFAOYSA-N 458.540 1.750 50 10 JDGE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CCOC)c2C)CC1 727742789 HTNNOUGWUUZHHU-PGMHBOJBSA-N 485.610 1.915 50 10 JDGE CCOC(=O)COc1ccc2c(c1)C(=NNC(=O)CN(C)[C@H](C)Cc1ccccc1)C(=O)N2 1088719466 JPYSBZVAOAHFMY-MRXNPFEDSA-N 452.511 1.964 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNC(=O)c1ccc2ccccc2n1)c1ccc(S(C)(=O)=O)cc1 1463637593 XWSCSZUQOBCXJV-QFIPXVFZSA-N 454.508 1.451 50 10 JDGE C#C[C@@H](CO)NC(=O)/C(C#N)=C/c1cn(CCC(N)=O)nc1-c1ccc(Br)cc1 1636623194 OCTJHLASPOMGAF-ZGUWOUCSSA-N 456.300 1.205 50 10 JDGE COc1ccc(CN2C[C@@H](C(=O)N3CCC[C@@H](C(=O)NNc4ccccn4)C3)CC2=O)cc1 1872962225 RISLTULMBLLJDG-MOPGFXCFSA-N 451.527 1.821 50 10 JDGE CN(C)C[C@H]1C[C@@H](Br)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2058548131 KDFQFBLVXLGNJW-HUUCEWRRSA-N 472.405 1.792 50 10 JDGE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(B(O)O)s1 2256621468 VFQNNUUMYZDCGH-HNAYVOBHSA-N 462.377 1.885 50 10 JDGE CC(=O)[C@H]1CC(C(=O)N2CCN(S(=O)(=O)CBr)CC2)=NN1c1ccccc1 1546250186 XXQILAJXSMSNLV-MRXNPFEDSA-N 457.350 1.037 50 10 JDGE C#CC[C@]1(C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)CCCN1C(=O)OC(C)(C)C 1556767018 ZVZHNFDRVUWFCW-QMHKHESXSA-N 454.483 1.378 50 10 JDGE C[C@@H]1CCc2c(sc3ncn(CC(=O)NNC(=O)Cc4ccccc4[N+](=O)[O-])c(=O)c23)C1 1860769732 GAYNZQWXRWDUAR-GFCCVEGCSA-N 455.496 1.881 50 10 JDGE CS(=O)(=O)c1ccccc1C(=O)NNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1865756022 BJXCSZURGLSGQN-UHFFFAOYSA-N 478.486 1.356 50 10 JDGE O=C(NCC(=O)N1CCc2c(cccc2B(O)O)C1)OCC1c2ccccc2-c2ccccc21 2248401485 JNRXQBJJTITYRB-UHFFFAOYSA-N 456.307 1.790 50 10 JDGE Cc1ccc(B(O)O)c(NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c1 2268632409 JZFGARQQVHFAKF-XMMPIXPASA-N 453.348 1.783 50 10 JDGE Cc1oc(B(O)O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 2281590993 BOFSKZNYGVHRRF-UHFFFAOYSA-N 481.355 1.198 50 10 JDGE Cc1cc(B(O)O)c(CN(C)C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)s1 2283970374 UEXHVGLGIKIFJR-SFHVURJKSA-N 490.387 1.722 50 10 JDGE CS(=O)(=O)N1CCN(C=C(C#N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 2324610094 MVKZNCRBFZGOIZ-UHFFFAOYSA-N 493.633 1.905 50 10 JDGE COCCN(C=C(C#N)C(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 2325279905 KKEMLGIRHOFTNY-HXUWFJFHSA-N 450.536 1.017 50 10 JDGE O=C(CNC(=O)c1ccccc1)NCCSSCCNC(=O)CNC(=O)c1ccccc1 20509107 SJGQRSJMMLFIHG-UHFFFAOYSA-N 474.608 1.460 50 10 JDGE C=CCn1cc(/C=N/NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2CC=C)cn1 59830029 NWNIVMADRHAMNP-SSDVNMTOSA-N 462.543 1.882 50 10 JDGE COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N=C(O)N=C2O)cc1OC 97499198 DHAHEKCHDQKJKQ-UVTDQMKNSA-N 465.422 1.358 50 10 JDGE CC(=O)NNC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCCC2)n1 1084535582 KHLRPGZCVQNDJM-UHFFFAOYSA-N 496.601 1.995 50 10 JDGE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 1633191445 KEMCURUMVCVWKG-OAHLLOKOSA-N 452.943 1.876 50 10 JDGE CC(=O)N[C@](C)(C(=O)NNc1ccnc(Br)c1)c1ccc(S(C)(=O)=O)cc1 1639150784 XDZNBQOYFHSNIJ-KRWDZBQOSA-N 455.334 1.742 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1COC2(CCC2)[C@@H]1Br 2025827599 XSQBXFXGFFLHBT-HUUCEWRRSA-N 457.346 1.677 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCCN1CCC(Br)CC1 2108231776 SHGZZKMGLOYCPA-IBGZPJMESA-N 490.395 1.790 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H](CBr)OCC12CC2 2127556862 YPBVFAOGHZMQBV-SCLBCKFNSA-N 489.363 1.969 50 10 JDGE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(B(O)O)cc1 2140560494 ZQHOLOPZPMNNIZ-NRFANRHFSA-N 455.364 1.050 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)N1CCn2c(CBr)nnc2C1 2171784735 MUEFZFHKYGXRNF-UHFFFAOYSA-N 496.387 1.785 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1c(F)cc(F)cc1B(O)O 2255754774 FLYOHSICIGAZMQ-UHFFFAOYSA-N 470.303 1.360 50 10 JDGE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc(B(O)O)c(F)c1F 2256673386 CKHPMFLOWNWZAD-MRXNPFEDSA-N 450.247 1.693 50 10 JDGE C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1cscc1B(O)O 2256678787 HDZSMTWSRMIXNK-MRXNPFEDSA-N 461.393 1.632 50 10 JDGE Cc1csc(C(=O)NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1B(O)O 2267433847 PMYRWLPZTWLVTM-UHFFFAOYSA-N 485.412 1.664 50 10 JDGE C[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)c1ccc(B(O)O)cc1 2268677673 VGPPZDVCHRFNRO-SFHVURJKSA-N 455.364 1.571 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3scc(B(O)O)c3C2)CCN(Cc2ccccc2)C1 2361640585 JDQGWEAMEJILDS-XMMPIXPASA-N 485.415 1.482 50 10 JDGE COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)/C(C#N)=C(\C)N)cc(OC)c1OC 9492887 KUKYCTYGUDPNEP-OKFGHLOFSA-N 465.528 1.432 50 10 JDGE C/C(=C\c1ccccn1)C(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1524056117 HXCZNTULZCNVKR-WUKNDPDISA-N 458.540 1.286 50 10 JDGE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1cc(B(O)O)cs1 2256626563 LKAFNTREMBDNOB-DNVCBOLYSA-N 462.377 1.885 50 10 JDGE CN(Cc1ccc(B(O)O)cc1)C(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2268679661 PEMQGDSVTAVSAH-NRFANRHFSA-N 456.348 1.825 50 10 JDGE Cc1cc(CNC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)ccc1B(O)O 2273758556 ZSXUAMHRHSVSJI-NRFANRHFSA-N 455.364 1.316 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(F)ccc2B(O)O)C1 2282243426 ZXOCCVZHBURFOV-IBGZPJMESA-N 471.338 1.357 50 10 JDGE O=C(NCCCN1CCCS1(=O)=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 726276580 HHVYRFDFPBQLCO-UHFFFAOYSA-N 482.566 1.909 50 10 JDGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 727293582 ZNUQLLDUQHUNCO-OAQYLSRUSA-N 452.511 1.938 50 10 JDGE NC(=O)COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 1084106517 FXTPNOMLGGZCCO-UHFFFAOYSA-N 494.573 1.934 50 10 JDGE C#CCOc1c(I)cc(C=NNC(=O)CN2CCOCC2)cc1OC 1084385228 QNARSQJBLQLMNJ-UHFFFAOYSA-N 457.268 1.094 50 10 JDGE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)NCC(F)(F)F)CC2)c1 1634168818 KFXNBNWHDQTLNA-UHFFFAOYSA-N 450.439 1.183 50 10 JDGE C=CCC1(CNC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCCC1 1686449934 IGTWWEAUFWVDHW-UHFFFAOYSA-N 450.561 1.788 50 10 JDGE COc1ccccc1OCC(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860769816 IQHFUIKFPAXNAE-ZDUSSCGKSA-N 456.524 1.818 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)OCC(=O)NNC(=O)c2ccc(OC)cc2)cc1 2040422064 LRESCRPWZXOABA-UHFFFAOYSA-N 489.550 1.743 50 10 JDGE CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)CI 2056599729 BBNXOGIQDVDQCW-NWDGAFQWSA-N 490.360 1.877 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N1CCc2ccc(B(O)O)cc2C1 2284041348 OMXZIPFTDGDAMY-JOCHJYFZSA-N 468.359 1.751 50 10 JDGE CN1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C[C@H]1CBr 687607861 KGHBAVVPEPGEOK-CQSZACIVSA-N 472.405 1.650 50 10 JDGE O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ncnc(NNC(=O)c2ccccn2)c1[N+](=O)[O-] 40659076 RVAKRIZKTZIAOP-UHFFFAOYSA-N 453.375 1.131 50 10 JDGE O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-] 40659557 LCJUEGSOALSHBO-UHFFFAOYSA-N 486.316 1.958 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)NCc2ccc(Cl)cc2)cc1 1633292874 UDIZYRMLZUZNRR-UHFFFAOYSA-N 452.920 1.742 50 10 JDGE CC(=O)N[C@@H](C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c1cccc(Br)c1 1648679674 AQHSXIBTRPSZTB-OAHLLOKOSA-N 457.325 1.689 50 10 JDGE CC[C@H]1C[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@@H](O)[C@H]3OC(C)(C)O[C@@H]23)N(C)C1 1848439081 OCZLAKAMOSUOEB-IHPJJTNOSA-N 451.029 1.798 50 10 JDGE COCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 1859004637 FYJSKZKEKAQEIY-UHFFFAOYSA-N 455.420 1.516 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1C[C@@H](CBr)OC2(CCC2)C1 2001280812 GQIOIAUNUZUGRT-CYBMUJFWSA-N 457.346 1.631 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(C1)OCCC[C@H]2Br 2108229628 GBELYFAFGWKIEZ-CRAIPNDOSA-N 489.363 1.969 50 10 JDGE CO[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(Br)CC2)N(C(=O)OC(C)(C)C)C1 2115830735 GQDALCGDYOOKAQ-KBPBESRZSA-N 456.403 1.705 50 10 JDGE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)c2sccc2B(O)O)C1 2243391585 AOHLNWIWSVACIO-UHFFFAOYSA-N 452.363 1.238 50 10 JDGE Cc1nc(NC(=O)C(C)(C)NC(=O)OCC2c3ccccc3-c3ccccc32)ncc1B(O)O 2248895047 QBVIKRACKHPUIA-UHFFFAOYSA-N 460.299 1.721 50 10 JDGE CN(C)CCN(C=C(C#N)C(=O)Nc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 2324087719 XWQZSTJGKUPSAI-QGZVFWFLSA-N 455.378 1.846 50 10 JDGE CCCN(CCC)Cc1c(C(=O)NN=Cc2ccccc2C(=O)O)nnn1-c1nonc1N 254466400 DGHFZSLSIKOANG-UHFFFAOYSA-N 455.479 1.317 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CCCN(CCBr)CC1 703973111 IGOOWPJKEMUWLQ-UHFFFAOYSA-N 458.378 1.405 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC(CI)CC1 1933990187 RGXZVJYXHXMHGG-UHFFFAOYSA-N 462.309 1.759 50 10 JDGE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](CBr)O1 1942094734 IQPQQIMQDDDGBT-ZIAGYGMSSA-N 459.362 1.877 50 10 JDGE COC(=O)[C@@H](I)CNC(=O)c1nn(C)c(Cl)c1Br 2048145615 DHVJQVJINFHIGP-BYPYZUCNSA-N 450.458 1.542 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1B(O)O 2268643729 JMCDUGZLMHNGQM-OAQYLSRUSA-N 455.364 1.050 50 10 JDGE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCc2sccc2B(O)O)C1 2268650608 QFQLNPJTDPCCHJ-HSZRJFAPSA-N 474.388 1.888 50 10 JDGE NNC(=O)c1cn(CCOc2cc(Br)cc(I)c2)nn1 2364277048 ZHNUHEIFFSPHRJ-UHFFFAOYSA-N 452.050 1.328 50 10 JDGE C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)cc1 9442317 CPMYAPPOEULCFM-DQSGYLJSSA-N 483.550 1.981 50 10 JDGE C[C@@H]1CN(C(=O)/C(C#N)=C\Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@@H](C)O1 217194341 CSGIQRZTXOZYFQ-MSNOVFOGSA-N 468.963 1.816 50 10 JDGE CC(=O)NNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084163590 OAGLJOWSBPZYOM-CYBMUJFWSA-N 470.563 1.459 50 10 JDGE C#Cc1cncc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1 1586973294 FCFPLCRRLMTWGR-UHFFFAOYSA-N 450.476 1.947 50 10 JDGE COc1ccc(Cl)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc(C)c(C)c2c1=O 1860770837 YSKLUNFBLBFTNI-UHFFFAOYSA-N 456.933 1.747 50 10 JDGE CC(C)(C)OC(=O)N1CCN(CC2(CBr)CCOCC2)[C@@H]2CS(=O)(=O)C[C@H]21 2163064313 UDMMECZYUMHVGB-HUUCEWRRSA-N 467.426 1.896 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cc(Cl)c(B(O)O)s1)OCc1ccccc1 2247884395 TUQCVHVRKAKALP-UHFFFAOYSA-N 490.796 1.729 50 10 JDGE COc1ccc(C=CC(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 2314109191 IBCLFWGHMLNOKY-GOSISDBHSA-N 482.562 1.788 50 10 JDGE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1CCc2scc(B(O)O)c2C1 2314911605 IFLFFGXVHSUVCB-SFHVURJKSA-N 460.361 1.423 50 10 JDGE Cc1nc(I)c(I)n1CCC[C@@H]1C[C@@H]1C(=O)NN 2315769107 GNTQUNNETHTTMJ-SFYZADRCSA-N 474.084 1.807 50 10 JDGE CN(C)CCN(/C=C(/C#N)C(=O)Nc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 216787629 XWQZSTJGKUPSAI-BHEFUSTPSA-N 455.378 1.846 50 10 JDGE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)CC1 727365674 WLGUECLZCJOHJD-UHFFFAOYSA-N 476.537 1.659 50 10 JDGE CC(=O)Nc1cccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)NNc4ccccn4)C3)CC2=O)c1 1872961612 MINIJQNACRDKSF-ZWKOTPCHSA-N 464.526 1.775 50 10 JDGE O=C(N[C@@H]1CS(=O)(=O)C[C@H]1Br)c1ccc(I)c(O)c1 2121337246 LQMDUFVTMPFGEM-VXNVDRBHSA-N 460.087 1.287 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncccc2B(O)O)CCN(Cc2ccccc2)CC1 2124539946 AYEKGIDALLCWQY-UHFFFAOYSA-N 454.336 1.259 50 10 JDGE Cc1cc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)sc1B(O)O 2255513605 UPPYAFIJNWOLHL-UHFFFAOYSA-N 471.385 1.228 50 10 JDGE COc1cc(B(O)O)ccc1NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 2268641645 CDTXPEPKYCYOPE-LJQANCHMSA-N 457.336 1.339 50 10 JDGE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCc3ccc(B(O)O)cc32)CCN(Cc2ccccc2)C1 2284058155 IYKVDFKRSDEWGE-RUZDIDTESA-N 465.359 1.425 50 10 JDGE CCOc1cc(C=NNC(=O)CNc2nnc(O)nc2O)cc(Br)c1OCC 2323201626 SLUCSDJFQIQQMM-UHFFFAOYSA-N 455.269 1.405 50 10 JDGE O=C(CNC(=O)c1ccccc1O)NN=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 254480603 ZIFDGBDQAAQVLZ-UHFFFAOYSA-N 472.457 1.918 50 10 JDGE COc1ccc(/C=N/NC(=O)Cn2c(NCCc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 606629877 HZZNCQGAIAKONT-JFLMPSFJSA-N 489.536 1.247 50 10 JDGE CCOc1ccc(O[C@H](C)C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749112501 GCLDKDCOGMSBIT-RHSMWYFYSA-N 467.569 1.915 50 10 JDGE CC(=O)NNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2c(C)nn(-c3ccccc3)c2N(C)C)n1 1084163591 OAGLJOWSBPZYOM-ZDUSSCGKSA-N 470.563 1.459 50 10 JDGE COc1ccc(S(=O)(=O)NNC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 1860770756 WAAFPJUVLQMHDQ-LBPRGKRZSA-N 492.579 1.610 50 10 JDGE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)c1cc(B(O)O)c(Cl)cn1 2252675897 ZJRYRYSTVVUTRC-UHFFFAOYSA-N 458.752 1.271 50 10 JDGE Cc1c(Cl)cc(C(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)cc1B(O)O 2282295909 SAXPSKCBLBIJNY-UHFFFAOYSA-N 499.801 1.820 50 10 JDGE COc1ccc([C@H](C)NC(=O)C(C#N)=CNCCc2ccc(S(N)(=O)=O)cc2)cc1OC 2325045464 CCPJQCVRWOVAGD-HNNXBMFYSA-N 458.540 1.768 50 10 JDGE CC(C)[C@H](CI)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703969237 HXXNAZJMJRJLCB-ZDUSSCGKSA-N 450.298 1.662 50 10 JDGE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NNC(=O)c1ccc(F)cc1 1084564674 QGUVQKYFPDFCIB-UHFFFAOYSA-N 474.434 1.557 50 10 JDGE C#CCNC(=O)CN1CCCN(C(=O)/C(C#N)=C/c2cc(C)n(C[C@H]3CCCO3)c2C)CC1 1292889828 MIVQIWAZSQWGOP-VKIDYWOHSA-N 451.571 1.475 50 10 JDGE CN(CCBr)CCN(C)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942100016 YPZLJNPAJKYGNG-UHFFFAOYSA-N 460.394 1.651 50 10 JDGE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B(O)O)s2)CCN(Cc2ccccc2)CC1 2256672347 GJQPISYNGGHITR-UHFFFAOYSA-N 460.365 1.321 50 10 JDGE O=C(N/N=C1/C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21)[C@@H](O)c1ccccc1 59158138 OCIMHLJKTHZPES-SUZWILKISA-N 468.469 1.883 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)Nc1cc(B(O)O)ccc1Cl 2146004484 PDLSYEBJFYONIS-UHFFFAOYSA-N 450.709 1.228 50 10 JDGE CC(C)(C)OC(=O)NCCN(Cc1ccccc1)S(=O)(=O)c1ccc(B(O)O)cc1Cl 2247942432 UUYQHWWNVFEYED-UHFFFAOYSA-N 468.768 1.735 50 10 JDGE CCc1nc(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(B(O)O)s1 2281631403 UWXPPJCFOREXJL-KRWDZBQOSA-N 488.419 1.237 50 10 JDGE CC(C)(C)OC(=O)N1CC(c2nc(=NS(=O)(=O)N3CCC(Br)CC3)s[nH]2)C1 2296455778 ZZVRQKPWJUEFIT-UHFFFAOYSA-N 482.426 1.810 50 10 JDGE O=C(c1cc(I)cc(I)c1O)N1CC[C@@H](B(O)O)C1 2342480352 NZYWJZUWFKVJGU-ZCFIWIBFSA-N 486.840 1.290 50 10 JDGE O=C(NCCO)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)NCCO)c2)ccc1[N+](=O)[O-] 198814876 HVDKPORCMMAIRN-UHFFFAOYSA-N 482.496 1.747 50 10 JDGE O=C(NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(OC(F)F)c1 728509857 ANKJHIBYAABPQW-UHFFFAOYSA-N 475.495 1.696 50 10 JDGE O=C(c1cc(I)sn1)N1C[C@@H]2OC[C@H](CBr)O[C@@H]2C1 2265158539 NQHFSNFXFVVCSN-CNUIFLNQSA-N 459.103 1.751 50 10 JDGE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)cc1 27571175 KXIAWZPGCZUJJO-WQRHYEAKSA-N 469.475 1.356 50 10 JDGE COC(=O)[C@H](Br)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703994949 ZRJHYWPIKFOFBY-CYBMUJFWSA-N 461.334 1.165 50 10 JDGE CC(=NNC(=O)CN1CCCc2ccccc21)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816604 LCWRYMFLFMGSFO-UHFFFAOYSA-N 478.596 1.705 50 10 JDGE CC(=O)N1CCN(Cc2ccccc2NC(=O)NNC(=O)COc2ccc(C#N)cc2)CC1 1216726309 QPWBXLZBKWKXOJ-UHFFFAOYSA-N 450.499 1.454 50 10 JDGE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(S(=O)(=O)CBr)CC1 1624128265 VGEHGXHFCNAZDG-QGZVFWFLSA-N 456.362 1.777 50 10 JDGE CN(C)CCCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(SC#N)cc3)cc2C1=O 1866609862 FVFPHPCTRWQQOV-FQEVSTJZSA-N 495.561 1.537 50 10 JDGE CC(C)(C)OC(=O)N1CCN([C@H]2CCC[C@H]2NS(=O)(=O)CI)CC1 2007710633 WFRWWJWPEOUHEG-OLZOCXBDSA-N 473.377 1.772 50 10 JDGE CO[C@@H]1C[C@H](Br)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046666682 BZGDQJURUXIRNU-VEVIJQCQSA-N 477.352 1.825 50 10 JDGE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](C)c1nscc1B(O)O 2268655299 KEIJJAZKXGJZHL-DOXZYTNZSA-N 477.392 1.841 50 10 JDGE O=C(O)C=CC(=O)NCc1ccc(S(=O)(=O)NC(=O)Oc2ccc([N+](=O)[O-])cc2F)cc1 2330181739 QJTIGDDJRVXZGR-UHFFFAOYSA-N 467.387 1.468 50 10 JDGE N#C/C(=C/c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 33372790 DHJKXAXFYUSTGE-SYCZXOQXSA-N 468.466 1.836 50 10 JDGE CCOC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)/C=C/c2ccccc2OC)c2ccccc21 254319754 ZUGHJIRLVPDEHV-DNRLJHGLSA-N 464.478 1.255 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)cc1OC 254582745 GIJIHIBNPIMMTN-UHFFFAOYSA-N 478.425 1.409 50 10 JDGE CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1C(N)=O 263622009 HAYVJEGVUQVXKZ-UHFFFAOYSA-N 490.484 1.106 50 10 JDGE COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(\C#N)C(=O)NCCN2CCO[C@H](C)C2)cc1 725716896 CBDTZURUXGASKJ-HNMKQIAWSA-N 466.542 1.178 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(B(O)O)ccc2F)C1 1176705913 WEGDZKPCCVQKCX-UHFFFAOYSA-N 458.295 1.130 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NN=c2cc[nH]c3cccnc23)cc1 1471767874 ARKGICDYQMVNFC-HXUWFJFHSA-N 453.524 1.941 50 10 JDGE Cn1nnc(Br)c1S(=O)(=O)N1C[C@H](Br)[C@@H](Br)C1 2019457923 RIGLUAWZTZEJBC-WHFBIAKZSA-N 452.954 1.109 50 10 JDGE C[C@H](Br)[C@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCO1 2053850401 OHHXVBRJQUDEQQ-WBHUJUFNSA-N 477.352 1.825 50 10 JDGE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N2CCN(S(=O)(=O)CI)CC2)C1 2213737910 LAGZBKRHYXJLGO-QWHCGFSZSA-N 473.377 1.772 50 10 JDGE CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccc(B(O)O)cc1)OCc1ccccc1 2247842757 ZQBOKBGGAUOZAA-UHFFFAOYSA-N 450.322 1.014 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)c2ccsc2B(O)O)CC1 2266899652 PZZDINLVTICZRX-UHFFFAOYSA-N 483.396 1.358 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284137895 UPGXMDGXTXQRLK-UHFFFAOYSA-N 470.331 1.767 50 10 JDGE N#C/C(=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 33894528 AIEALMAVFQZLCM-SILNSSARSA-N 470.533 1.662 50 10 JDGE CC(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CSc2nncn2C)cc1 263626613 OJBGAJZJYMRWCJ-UHFFFAOYSA-N 467.519 1.541 50 10 JDGE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(Br)CC1 2163055151 DPEWBBJGULPTNU-UHFFFAOYSA-N 469.446 1.575 50 10 JDGE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(Cl)c(B(O)O)c2)C1 2281713697 PTZQWXGFIWLTJJ-LJQANCHMSA-N 487.793 1.871 50 10 JDGE CN(Cc1ccccc1B(O)O)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2284137353 NBVYTWHPOXYJGH-UHFFFAOYSA-N 468.359 1.779 50 10 JDGE Nc1c(NCCN2CCOCC2)ncnc1NNC(=O)COc1ccc(Cl)cc1Cl 40795569 SXQZJVZJJFMTLC-UHFFFAOYSA-N 456.334 1.632 50 10 JDGE CC1(C)OB(c2cnc(S(=O)(=O)CCCC3CCN(C(=O)CCl)CC3)nc2)OC1(C)C 204882741 JMLIOVNGMUWJLG-UHFFFAOYSA-N 471.816 1.807 50 10 JDGE COc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)cc1OC 254501776 UGJMRVOICKLDFD-UHFFFAOYSA-N 464.442 1.593 50 10 JDGE CC(C)Cn1cnc2c1c(=O)n(CC(=O)NN=Cc1cnn3ccccc13)c(=O)n2Cc1ccccc1 729635977 BQQODCXYUXFCNF-UHFFFAOYSA-N 498.547 1.862 50 10 JDGE C=CCOc1c(I)cc(C=NNC(=O)CN2CCOCC2)cc1OC 1084111657 VHQKEQXDPIGPCV-UHFFFAOYSA-N 459.284 1.647 50 10 JDGE CCN(CC)S(=O)(=O)c1ccc(C(=O)NNS(=O)(=O)c2cccc(C(=O)O)c2)cc1 1858081693 ZXLAGGYPYDNBTM-UHFFFAOYSA-N 455.514 1.039 50 10 JDGE COc1ccc(C)cc1S(=O)(=O)NNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 1860770824 YNIYTRVZAKCMIR-LBPRGKRZSA-N 476.580 1.910 50 10 JDGE Cc1cc(Cn2c(C)nc(I)c2I)oc1C(=O)NN 2088987732 MUHKQFLKWSYYJH-UHFFFAOYSA-N 486.051 1.954 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@@H]2CCO[C@]2(CBr)C1 2223472857 PCGLIADGNRZPMO-IFXJQAMLSA-N 471.373 1.878 50 10 JDGE Cc1cc(B(O)O)sc1CNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 2256638643 JBJCVOGQYSVJGK-UHFFFAOYSA-N 461.393 1.379 50 10 JDGE COCCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 14645278 RPDPBDGJRHPLIE-UHFFFAOYSA-N 486.550 1.853 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B(O)O)ccc2F)CCN1C(=O)OC(C)(C)C 1965136483 DDIGJBFJSBFMGG-UHFFFAOYSA-N 467.303 1.351 50 10 JDGE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC2(C1)OCCC[C@@H]2Br 2108229631 GBELYFAFGWKIEZ-YJBOKZPZSA-N 489.363 1.969 50 10 JDGE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2COC[C@@H](C1)C2Br 2111467385 YQHMHFNXFODWRI-VMZNBEPHSA-N 485.400 1.980 50 10 JDGE COc1ccc(S(=O)(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)cc1B(O)O 2267618878 JQFFNZUUZMJXBW-UHFFFAOYSA-N 468.384 1.746 50 10 JDGE O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13976722 DVMPIFPRQXBHJP-UHFFFAOYSA-N 453.820 1.871 50 10 JDGE O=C(COc1ccc(C(=O)NN=Cc2ccc(O)cc2O)cc1)NN=Cc1ccc(O)cc1O 254449524 SDTIZQUKTWEYFX-UHFFFAOYSA-N 464.434 1.802 50 10 JDGE Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2C(=O)O)c1COc1ccc(F)cc1 254794636 HJTVXZILCQJMME-UHFFFAOYSA-N 466.389 1.413 50 10 JDGE NNC(=O)c1ccoc1Cn1cnc(I)c1I 302510798 YVCHISKXFFQWDL-UHFFFAOYSA-N 457.997 1.337 50 10 JDGE COc1ccc(OC)c(C=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)c1 1084377256 RJJSSSZOPYLCEA-UHFFFAOYSA-N 455.500 1.821 50 10 JDGE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCO[C@@H](CCBr)C1 2052686005 CKANHGJUDWLMBT-SCLBCKFNSA-N 477.352 1.826 50 10 JDGE COC(=O)[C@H](Br)CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2106588273 VRFBEWCRXFVZHW-RYZVSIALSA-N 457.391 1.335 50 10 JDGE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(Br)CC2)C1 2106776643 KEOFXBMCRTVUFG-KBPBESRZSA-N 456.403 1.705 50 10 JDGE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(S(=O)(=O)N2CCC(Br)CC2)C1 2188789121 VEPQOAOYMYATFC-CHWSQXEVSA-N 470.386 1.533 50 10 JDGE O=C(NCCNS(=O)(=O)c1ccccc1B(O)O)OCC1c2ccccc2-c2ccccc21 2243401322 PFYWTSPBAPUEIS-UHFFFAOYSA-N 466.324 1.183 50 10 JDGE CC(C)(C)OC(=O)NC[C@](C)(CI)O[C@@H]1CCN(S(C)(=O)=O)C1 2244066913 RAWXOGNESFXWBH-RISCZKNCSA-N 462.350 1.755 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2cc(B(O)O)c(Cl)s2)C1 2255773773 FTSCKJMEAVZLLT-UHFFFAOYSA-N 480.779 1.706 50 10 JDGE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCc2c(B(O)O)cccc21 2283987413 XOLXWHGZNPZNAV-OAQYLSRUSA-N 467.375 1.671 50 10 JDGE CC(C)(C)OC(=O)NC[C@]1(Oc2cc(B(O)O)c(F)cn2)CCCN(Cc2ccccc2)C1 2343958641 PZUMTKFLKYSDEE-HSZRJFAPSA-N 459.327 1.839 50 10 JDGE COC(=O)[C@H](I)CNC(=O)c1ccc(I)c(O)c1 234597179 PYCBYVADWSLROG-MRVPVSSYSA-N 475.020 1.703 50 10 JDGE COC(=O)[C@H](I)CNS(=O)(=O)c1ccc(Br)s1 300040531 RNIONWZSKIYHFI-RXMQYKEDSA-N 454.105 1.766 50 10 JDGE COc1cc(C=NNc2nc(SCC(=O)NNC(=O)c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1O 1083977365 JAFNRLXOPYAKEK-UHFFFAOYSA-N 486.470 1.426 50 10 JDGE CC(=O)N1CCc2c(NC(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)cccc21 1476459472 FRCGEPJNUUHNHB-UHFFFAOYSA-N 459.528 1.377 50 10 JDGE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=S)N[C@H](C)C2CC2)cc1 1628056006 NZRDUQWCERBKKK-FZKQIMNGSA-N 452.602 1.726 50 10 JDGE C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1I)[C@H]2[C@@H]3C(=O)O 1848441424 WLHKCLCEVMWIKC-YJVCJTQSSA-N 474.291 1.665 50 10 JDGE O=C(NNc1ccccn1)[C@H]1CCCN(C(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 1873777779 RSHAGNNMHKBCDX-HNNXBMFYSA-N 480.481 1.748 50 10 JDGE CN(C)C[C@@H](CBr)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942096706 CQHHCYPWDAKXIQ-CQSZACIVSA-N 460.394 1.697 50 10 JDGE O=S(=O)(C[C@H](Br)c1cc(I)sn1)N1CCOCC1 2056487900 POUJCZOOOCVJGI-ZETCQYMHSA-N 467.148 1.846 50 10 JDGE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)c2c(F)cc(B(O)O)cc2F)C1 2281601252 LHZVHLRLZUNMSB-UHFFFAOYSA-N 476.285 1.269 50 10 JDGE CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OCCOC)cc2)cc1 14657324 BQZPNGULILJGHU-UHFFFAOYSA-N 489.550 1.993 50 10 JDGE CC(C)(C)OC(=O)N1CCN(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1858082259 SCEGWIYPEZYPLK-UHFFFAOYSA-N 481.575 1.378 50 10 JDGE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCC(F)(F)C(F)(F)CBr 1900059345 VGHWZNAZXZCPRC-UHFFFAOYSA-N 461.231 1.868 50 10 JDGE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC[C@@]2(C[C@H](Br)CO2)C1 2023480485 BUNFVVRSNVTRIW-SCLBCKFNSA-N 457.346 1.631 50 10 JDGE CN1CCN(S(=O)(=O)c2ccc(CBr)cc2)[C@@H](CNC(=O)C(F)(F)F)C1 2163052481 DVEAHEQRSAIBLI-LBPRGKRZSA-N 458.300 1.565 50 10 JDGE C[C@@H](CNS(=O)(=O)N1CCC(Br)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238411813 KQLVFDVJBXTLRE-GUYCJALGSA-N 470.430 1.688 50 10 JDGE CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1B(O)O)Cc1ccccc1 2255772152 AXQQKCCWVIZFGA-UHFFFAOYSA-N 456.348 1.828 50 10 JDGE CN(Cc1ccc(B(O)O)s1)C(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 2256678252 MGMRGQXBEIJTQB-QGZVFWFLSA-N 462.377 1.887 50 10 JDGE Cc1sc(C)c(S(=O)(=O)N(OCc2ccccc2)C2CN(C(=O)OC(C)(C)C)C2)c1B(O)O 2267391291 BRCHYPCWHVTLQL-UHFFFAOYSA-N 496.416 1.787 50 10 JDGE COc1ccc(B(O)O)cc1NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 2283960875 CINFQMITBBGOMY-SFHVURJKSA-N 472.303 1.340 50 10 JDGE