smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)cc1C 11857629 SEHILQLAVOXFMG-UHFFFAOYSA-N 459.549 3.592 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 15040141 IKKBOFLLRDIBKA-DURWOYGOSA-N 487.628 3.510 10 10 JHCE CCCCN(C)C(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 108680455 WYXPIPNJUGEMTD-UHFFFAOYSA-N 453.583 3.976 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)cc2)CC1 1154271352 PEGZNFRCVNTUJA-UHFFFAOYSA-N 452.555 3.632 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864014096 NHHIXKXBOFSQFZ-NBQZKYEYSA-N 454.571 3.656 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@@H](N)Cc2cnc[nH]2)sc(C)c1-c1ccc(Br)cc1 1866031928 WOHFRUGLNCJYPA-HNNXBMFYSA-N 477.384 3.894 10 10 JHCE CCCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871721323 JEXPXSBTESDLHH-UHFFFAOYSA-N 477.613 3.981 10 10 JHCE COC(=O)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873919865 XOXXLBKSOBOCEZ-UHFFFAOYSA-N 478.508 4.000 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2040466506 GIEIJYJPBNFDOE-UHFFFAOYSA-N 486.663 3.867 10 10 JHCE CCOc1c(Br)cc(C=C2SC(=O)N(CC(=O)OC)C2=O)cc1Br 2293976901 XUJKNHJHXBPOLI-UHFFFAOYSA-N 479.146 3.820 10 10 JHCE Cc1ccc(N2C(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)C(=O)NC2=S)cc1 2294259151 MQWKFSJIFRGAPT-UHFFFAOYSA-N 465.314 3.597 10 10 JHCE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2296712268 QIQYGQKZZRLNHQ-UHFFFAOYSA-N 451.573 3.962 10 10 JHCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c(C)c1 2297352606 GCRCHGQZPNWYEX-UHFFFAOYSA-N 462.579 3.620 10 10 JHCE CC[C@@](C)(NC(=O)C=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330458676 VHBQCWOYCDDAPB-RUZDIDTESA-N 455.986 3.996 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)c3cnn(-c4ccc(C)cc4)c3-n3cccc3)CC2)cc1 8592116 AZJWBBVFOIEKEN-UHFFFAOYSA-N 498.631 3.922 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 20208147 OKRUBMIXHNAKJI-ODXNEQJUSA-N 469.592 3.839 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(F)c(Cl)c3)c3ccco3)CC2)cc1 38619332 NMJRWJMUIHEEQH-QFIPXVFZSA-N 493.988 3.923 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N21 96460048 FQGCNVKZPZPJTG-QNHLIMGLSA-N 492.941 3.679 10 10 JHCE C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105526382 RBFPFAZNUAKLKI-FGSBKAERSA-N 451.478 3.938 10 10 JHCE COc1cc(C(=O)NN2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc(OC)c1OC 207335261 SXSLNSNSQASOCL-YBFXNURJSA-N 483.571 3.750 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCC(F)F)CC1 1722768860 COENTLQEUFAFEW-UHFFFAOYSA-N 486.567 3.693 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)cc2C)C1 1760586786 POPDARZDHTVLGE-FTBPSBKWSA-N 496.700 3.924 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(O)c4ccc5ccccc5c4n3)CC2)cc1 1858510662 BVNGRLCCLZFRDD-UHFFFAOYSA-N 460.559 3.938 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc4ccccc4n3C)CC2)cc1 1862076135 VLBHKSVNHKMZNH-AREMUKBSSA-N 496.611 3.877 10 10 JHCE CCOc1ccc(/C=C/C(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 1862160371 BVFASLLLZKPUJM-OZQZAAJESA-N 495.620 3.749 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)/C=C/c3ccco3)CC2)cc1 1862270273 SSOCMTJKRIHWDR-ZOGNMOHXSA-N 477.536 3.517 10 10 JHCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012184 UBHYPFBJZQQQFW-FQEVSTJZSA-N 468.941 3.524 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864012865 LDVVLSWTKIOWIS-OAQYLSRUSA-N 480.540 3.655 10 10 JHCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865027346 HIYVMPBDRTZJTJ-FQEVSTJZSA-N 466.925 3.562 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032920 NWCKLEDWATWOFR-JOCHJYFZSA-N 476.577 3.776 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(F)ccc(F)c3c2=O)N2CCCCC2)cc1 1866421541 YSWDNGPZFNHCAR-OAQYLSRUSA-N 454.521 3.829 10 10 JHCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2CC)[nH]1 1871559103 KYTRCMYGSIAZMK-UHFFFAOYSA-N 475.641 3.959 10 10 JHCE CCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccc3nonc23)cc1 9837873 JTOKUBYTXFQLKE-UHFFFAOYSA-N 450.520 3.928 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1 20441545 YYBDIJLGBFZCCM-VWLOTQADSA-N 451.592 3.537 10 10 JHCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1OC 20715873 LWONUWQYAKTPJI-BPJRARJCSA-N 470.591 3.988 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccccc4Cl)cn3)CC2)cc1 1858437318 SKVNNOJFJBTYTB-UHFFFAOYSA-N 458.971 3.871 10 10 JHCE CC[C@](C)(NC(=O)Cc1cc(OC)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861898972 FESKPLDVBRRRJG-VWLOTQADSA-N 474.001 3.533 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864009297 DPOXADMKEBGYCX-QFIPXVFZSA-N 475.549 3.521 10 10 JHCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864013218 SZVRYGHUJACUEU-IKQLYJERSA-N 478.593 3.563 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccn5)CC4)nc(C(C)C)n3)CC2)cc1 1867950371 VQMNEHCDIAZNTJ-UHFFFAOYSA-N 473.625 3.657 10 10 JHCE CCCCCOC(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870420031 BEJGWDVGXZRYRW-UHFFFAOYSA-N 499.652 3.947 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871483696 FLIDUZVQLAQRLT-UHFFFAOYSA-N 499.594 3.854 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(CO)c2I)c(O)c1 2080052487 ASTJGWHWRRRRTR-INIZCTEOSA-N 454.308 3.745 10 10 JHCE COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 2296701611 LRZNOWSXKWFHCN-UHFFFAOYSA-N 481.599 3.588 10 10 JHCE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cccc(Br)c4)C3=O)o2)cc1 2297309336 DRNACUXJUVDDEK-UHFFFAOYSA-N 467.275 3.957 10 10 JHCE CCc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)s1 2297349839 WCUFWMZXVQAJKS-UHFFFAOYSA-N 478.621 3.738 10 10 JHCE C[C@@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836639 HVIKZMXDRCFYQQ-QMMMGPOBSA-N 470.395 3.840 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2328567138 UEBVWXWEWQLRBC-QHCPKHFHSA-N 488.053 3.949 10 10 JHCE COc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 15046760 VEDGHXVXJXMSGU-SJWFJVLYSA-N 474.560 3.646 10 10 JHCE O=C(c1cn(C[C@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCCc2ccccc21 23994024 WEMSETXIAZQSDJ-OAQYLSRUSA-N 454.530 3.911 10 10 JHCE CC(=O)c1ccc(S(=O)(=O)CC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)cc1F 1302263461 XPTJPQIADRRRGX-UHFFFAOYSA-N 456.539 3.834 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865026025 IHESHESLYXCFTQ-IQMFZBJNSA-N 492.551 3.743 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873165638 NYFDYOOTQJNLCK-UHFFFAOYSA-N 478.637 3.673 10 10 JHCE COc1cc(Br)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1O 2313561182 YHWYTSUXFMHYOE-UHFFFAOYSA-N 496.111 3.592 10 10 JHCE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 2313585799 CNTXOQHXQIHNPR-UHFFFAOYSA-N 484.537 3.989 10 10 JHCE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1cccnc1 2314717822 ZAJMRKJGBIVIKI-UHFFFAOYSA-N 472.551 3.545 10 10 JHCE COc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105128 APDAAFDAOCZMNM-UHFFFAOYSA-N 489.494 3.750 10 10 JHCE COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)c1C 20208731 DDLHAUJFJAEAHJ-PUYZJMEQSA-N 499.618 3.750 10 10 JHCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@H]32)cc1 20717459 ZJZKINFWWXQZQX-RQTOMXEWSA-N 453.608 3.848 10 10 JHCE Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1-c1ccc(S(N)(=O)=O)cc1 36852416 KYGLHSZBSNGIEL-UHFFFAOYSA-N 481.343 3.905 10 10 JHCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39989888 WZYFAWONQBDFPF-IZQLPPHKSA-N 486.663 3.809 10 10 JHCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2)C1 727308555 OTEZOFWAYKHXFR-FQEVSTJZSA-N 477.634 3.531 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(Cc4ccc(F)cc4)c(O)n3)CC2)cc1 1858518783 RIRRQUVSIBNPCG-UHFFFAOYSA-N 482.581 3.670 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N(C)CCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1860758540 MTLVRIAANDJLPY-UHFFFAOYSA-N 497.367 3.534 10 10 JHCE CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862287136 HLJNJRNTLRIZCP-JOCHJYFZSA-N 468.554 3.549 10 10 JHCE CC[C@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867316939 IUGUQJRBJWGCNH-LOSJGSFVSA-N 466.626 3.613 10 10 JHCE CCOC(=O)CCCOc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870373114 YVDWTUQNNXLYRP-UHFFFAOYSA-N 499.652 3.947 10 10 JHCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871638604 NKHAOKVNHCEGSS-UHFFFAOYSA-N 475.641 3.914 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OC 2313558648 GIMYGQFRIKYBAX-UHFFFAOYSA-N 463.259 3.662 10 10 JHCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)c2C)cc1F 11591678 LAXXWEWVSDKQDK-SANMLTNESA-N 461.493 3.954 10 10 JHCE Cn1c(=O)c2c(-c3ccc(F)cc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc1-3 15859005 COKSGVURJQHBBL-VWLOTQADSA-N 485.471 3.727 10 10 JHCE CC(C)n1c(=O)c(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)nc2cccnc21 33170327 YRQSVXTUDYURRW-UHFFFAOYSA-N 483.572 3.806 10 10 JHCE CN1CCN(CN2C(=O)/C(=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)CC1 38204985 VNKNITAPGWFEPY-VXPUYCOJSA-N 485.034 3.668 10 10 JHCE CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1C 38619375 LAWWVLSWXOJPBT-DEOSSOPVSA-N 499.633 3.837 10 10 JHCE COCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 39983436 NMEGFEGCXBDWNN-OJTJRJJXSA-N 486.663 3.723 10 10 JHCE COc1ccc(C2=NN(C(=O)CN3C(=O)C(=O)c4ccccc43)[C@H](c3ccc(N(C)C)cc3)C2)cc1 72413245 JWAPFEDAAUNOJB-VWLOTQADSA-N 482.540 3.668 10 10 JHCE Cc1ccc(S(=O)(=O)N(CCCC(=O)O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586199494 XLYKSDBIMJABQW-UHFFFAOYSA-N 463.511 3.831 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)c4c(Cl)ccc(Cl)c4OC)C3)CC2)cc1 1858385984 ZGSOYKPQEJVOTK-INIZCTEOSA-N 492.403 3.822 10 10 JHCE COc1ccc([C@H](CN2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)N(C)C)cc1 1858594437 ZGOVMMBKRBJPJA-LANLRWRYSA-N 456.589 3.971 10 10 JHCE CC[C@@](C)(NC(=O)c1ccccc1Br)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861913718 DYDUKWUEWUXARL-HSZRJFAPSA-N 474.399 3.705 10 10 JHCE COc1cc(OC)c2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 1866463393 BFCAECMVIDUOLB-UHFFFAOYSA-N 454.438 3.573 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4oc(-c5ccc(C)cc5)nc4c3)CC2)cc1 1868786649 BJJJMVRTHWXREB-UHFFFAOYSA-N 484.556 3.890 10 10 JHCE CC[C@@](C)(NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868959982 PVZLXHHABKVMBS-HHHXNRCGSA-N 492.576 3.606 10 10 JHCE Cc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2079031644 PPWBAXOJGGNPLG-HNNXBMFYSA-N 453.324 3.898 10 10 JHCE CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2OC)C(=O)N(c2ccc(Cl)cc2)C1=S 2294265304 HCRSSDPSGJUEBA-UHFFFAOYSA-N 460.939 3.929 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1 2313560013 GAJCROIUAHPCNQ-UHFFFAOYSA-N 457.486 3.889 10 10 JHCE CCCc1ccc(OCC(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862196946 GCJKJVAIFZUBTB-RUZDIDTESA-N 499.677 3.613 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1 1862260053 YAZATPCHFWAPCE-UHFFFAOYSA-N 450.366 3.859 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)COc3ccc(C)cc3)c3ccccc3)CC2)cc1 1862276584 LZYGHMSPSCMOAR-MHZLTWQESA-N 473.573 3.589 10 10 JHCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864007518 OOSSIARFUXEFGL-DEOSSOPVSA-N 482.540 3.911 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864010423 MZSZDBCSYHPVBU-QVKFZJNVSA-N 462.550 3.845 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028425 UQBOIHMIFOTABV-XMMPIXPASA-N 488.588 3.913 10 10 JHCE COc1ccc(Cl)c2c(=O)c(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c12 1866449834 AEDLJLKQHZOUQZ-HXUWFJFHSA-N 465.941 3.509 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(C/C=C/c5ccccc5)CC4)nc(C)n3)CC2)cc1 1867990281 KHBNIUDPAXCHIE-RMKNXTFCSA-N 484.648 3.956 10 10 JHCE CCCCOCCCN1C(=O)C(NCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164596 JBFTVCFWHYUASE-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3c(-n4cnnn4)sc4c3CCCC4)cccc21 1874180051 XJRKDFMHNXLNGD-UHFFFAOYSA-N 455.499 3.630 10 10 JHCE CCOc1ccc(Br)cc1C=C1C(=O)N(CCOC)C(=O)N(c2ccccc2)C1=O 2294516978 XRCXMFYTHBKHPM-UHFFFAOYSA-N 473.323 3.873 10 10 JHCE COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314414332 WGXZKQNMUUFUFC-UHFFFAOYSA-N 484.578 3.602 10 10 JHCE C[C@H]1CN(C(=O)COc2ccc(C=C3SC(=S)N(Cc4ccco4)C3=O)cc2)C[C@H](C)O1 2314488690 MLFYUQWYQDQGLN-HOTGVXAUSA-N 472.588 3.696 10 10 JHCE CN(C)c1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 8593283 OVSPJLFXFWHQFE-UHFFFAOYSA-N 468.623 3.588 10 10 JHCE N=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 20356212 PURCZMHLYMICBD-QFDSEOLMSA-N 461.547 3.817 10 10 JHCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCCCN2CCOCC2)cc1 205963307 UXPXEZRQALBZRH-PTGBLXJZSA-N 491.617 3.642 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 254615548 ODIQKTFBQWJCEV-RUZDIDTESA-N 489.641 3.988 10 10 JHCE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C)(C#N)CC1 1705896004 ZOCYSOZQHFTSMG-UHFFFAOYSA-N 457.582 3.785 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(CC3CCCC3)n2CCCSc2nccs2)C1 1705965358 TWHLFGGQPXQERP-LJQANCHMSA-N 462.689 3.954 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862217909 XXFPEKYPKJXXOI-HXUWFJFHSA-N 467.610 3.830 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864014487 WCDJNLDFHYKBJZ-OAQYLSRUSA-N 480.540 3.807 10 10 JHCE CCC[C@@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868965786 UIFHDVBENOCWHO-HSZRJFAPSA-N 492.576 3.606 10 10 JHCE COc1ccc([C@@H]2[C@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)OCC(=O)N2C(C)C)cc1 1890866314 JSLZUXDIWOHEDF-KQCYOHNVSA-N 477.605 3.677 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1O 2297334941 WIKJLNKUVWTZFD-UHFFFAOYSA-N 465.300 3.524 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 2313549227 QKDLLNZBLNSLKV-UHFFFAOYSA-N 481.505 3.733 10 10 JHCE CCOc1ccc(CN2CCc3nc(N4CCN(c5ccc(OC)cc5)CC4)ncc3C2)cc1OC 21039458 TWPDOZMXLSVMEM-UHFFFAOYSA-N 489.620 3.777 10 10 JHCE CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1OC 59861261 TXPXPHKITPIJBF-WJDWOHSUSA-N 473.323 3.561 10 10 JHCE COc1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4OC)c(C(=O)O)c3)CC2)cc1 64590182 CXHLOXLPHROTHD-UHFFFAOYSA-N 461.518 3.981 10 10 JHCE biogenic CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)[C@H](C)C1 1286879113 DRUVQTBLGOQGOO-LJQANCHMSA-N 470.687 3.525 10 10 JHCE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705940382 DADZTZHKKSXULT-OAQYLSRUSA-N 485.679 3.895 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864021587 DALRMSIMJXNSRC-OAHLLOKOSA-N 468.476 3.724 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865033241 VIYZGGYVNAKKPW-HXOBKFHXSA-N 488.588 3.858 10 10 JHCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC1)[C@H]2c1ccc(O)c(O)c1 1865034102 PHZOMGNSJDJHPA-NRFANRHFSA-N 490.560 3.697 10 10 JHCE Cc1ccc(-n2nc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)cc1Cl 1866288486 UXNLCSHYKHFZRQ-QHCPKHFHSA-N 490.995 3.822 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871718048 WCVZRMUGUWJQBW-UHFFFAOYSA-N 497.603 3.998 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CCCSC)CC2)cc1 1874643514 YZYHWWMKFVJIJE-VWLOTQADSA-N 494.661 3.696 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)NC3CCCCC3)C2=O)cc(OC)c1OC 2296881526 MRDAYIHNCQJPDM-UHFFFAOYSA-N 464.609 3.753 10 10 JHCE COc1ccc(OC)c(N2C(=O)C(=Cc3ccc(N4CCCCCC4)cc3)C(=O)NC2=S)c1 2296940623 OGGPICJAVSZDOZ-UHFFFAOYSA-N 465.575 3.916 10 10 JHCE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1 2297358640 YQXWPJWICVJBLT-UHFFFAOYSA-N 466.519 3.801 10 10 JHCE CCOc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1 59861659 CTKVYVWYYYIQRT-OQLLNIDSSA-N 459.296 3.518 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 102464069 PDMITVKIYXHUHP-WTCJYIDHSA-N 489.557 3.895 10 10 JHCE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1 39836054 TUKMUYQRXBIATK-LICLKQGHSA-N 481.555 3.698 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(Cl)s3)c3ccco3)CC2)cc1 38619237 SPORBSXIEJEVAU-GOSISDBHSA-N 482.027 3.845 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1OC)C(=O)c1cccs1 35962397 BNXCNUILWMLTSA-OAQYLSRUSA-N 480.590 3.562 10 10 JHCE Cc1c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 40066667 RVYAMNWNACSZHI-NAGKPISUSA-N 498.605 3.697 10 10 JHCE Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 96460171 OIMSMEZMJULONL-BQLOJNAPSA-N 475.983 3.677 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c1C 1084184784 CEJVWWYCPWZCLW-XDHOZWIPSA-N 474.477 3.593 10 10 JHCE CC(=O)c1cccc(OCc2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)no2)c1 1546034228 RAHBEQMWQSNYKV-OAQYLSRUSA-N 450.491 3.983 10 10 JHCE COc1ccc(N2CCN(C(=O)CN=c3nc(O)c(-c4ccc(C(C)(C)C)cc4)c(C)[nH]3)CC2)cc1 1858531341 SPBFCYIPNYXFMH-UHFFFAOYSA-N 489.620 3.646 10 10 JHCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 1857996903 MYFRHMRREKWPQP-CQSZACIVSA-N 468.407 3.801 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862214411 AODUBPCRCALYSW-QFQXNSOFSA-N 479.621 3.926 10 10 JHCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864008177 DXRPRDSLRPQJIT-VWLOTQADSA-N 496.567 3.970 10 10 JHCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@H]2c1ccc(O)c(O)c1 1864015056 ISDATDPNLCYVMV-HNNXBMFYSA-N 494.857 3.515 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027016 DATKFIRZMBDFGZ-QMHKHESXSA-N 474.561 3.604 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032386 BJJRLYDIWNDSER-HSZRJFAPSA-N 488.588 3.921 10 10 JHCE C[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866787425 USVQVTOYEZNUHN-QGZVFWFLSA-N 498.535 3.699 10 10 JHCE CCCOc1cn(CCCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870657395 GZANVKJQDVNAJF-UHFFFAOYSA-N 470.658 3.700 10 10 JHCE CC[C@H](C)NC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870961356 XAQDPVUMPQVSFV-FQEVSTJZSA-N 478.593 3.880 10 10 JHCE COCCN1C(=O)C(Nc2ccc(OC)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420222 KMTMLXUGBXULHL-UHFFFAOYSA-N 490.516 3.849 10 10 JHCE O=C(CSc1ccc2nnc(C(F)(F)F)n2n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017634 TZAVZDZIWWXPEI-UHFFFAOYSA-N 483.431 3.649 10 10 JHCE CC(=O)N[C@H](Oc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 2296663389 IGIPRIFDZBDJTD-OAHLLOKOSA-N 497.809 3.574 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 2313559868 ZQNHMAMVCJOMMM-UHFFFAOYSA-N 480.112 3.887 10 10 JHCE COC(=O)COc1ccc(C=C2C(=O)N(c3cccc(Br)c3)C(C)=C2C(=O)OC)cc1 2313578073 RSTGGNCSMIEHHB-UHFFFAOYSA-N 486.318 3.878 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O)C(=O)O 2314926269 FGEIIMVYZYDFPV-QAPCUYQASA-N 457.529 3.956 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cs1 11857725 YXIAWTAPHFBVGU-CQSZACIVSA-N 473.576 3.980 10 10 JHCE COc1cc(Br)cc([C@@H](c2ccccc2)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1O 95948661 QQMRQYDLHPOYTP-KSFYIVLOSA-N 488.426 3.537 10 10 JHCE CCOc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)c([N+](=O)[O-])c1 102468808 BENYWWKDKWYHKL-YVLHZVERSA-N 451.391 3.509 10 10 JHCE O=C(O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc3ccccc23)C(=O)N=C1O 103122716 ZTJZKQXALGIUSZ-LUDQZLGDSA-N 468.469 3.914 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 248045060 LYSFFSFWAKWIDZ-LOSJGSFVSA-N 461.606 3.877 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](C)N(C)C)C1 1595967557 AVSOAVDFWGEGKV-REWPJTCUSA-N 477.657 3.607 10 10 JHCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1O 1644924847 FCGFOVPYWFHWNV-KRWDZBQOSA-N 450.988 3.747 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc(C(=O)O)cc2)nc1-c1ccc2c(c1)CCC(=O)N2C 1859570545 TXKOCDZKGLQXRY-UHFFFAOYSA-N 457.533 3.527 10 10 JHCE C[C@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)NCCc1ccc(O)c(O)c1 1860270388 PVNNMCHHZBNKBG-ZDUSSCGKSA-N 457.910 3.863 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(N(C)C)cc3)c3ccccc3)CC2)cc1 1862294650 FTIOVIKQJKMDCF-AREMUKBSSA-N 472.589 3.581 10 10 JHCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864019898 RDXIFRAYGQYNTO-FQEVSTJZSA-N 482.968 3.966 10 10 JHCE Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)ccc12 1865874969 MRKCTAWYJGYYCW-DEOSSOPVSA-N 463.578 3.890 10 10 JHCE CCCCN=c1nc(Nc2ccc(OCC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871527750 UJGZRMVVKLYZIX-UHFFFAOYSA-N 477.613 3.983 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873163957 FENPIXCMHAGGON-HSZRJFAPSA-N 456.546 3.538 10 10 JHCE COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 2297342827 HIRWXMSOVIXJBQ-UHFFFAOYSA-N 474.444 3.858 10 10 JHCE CCCC[C@H](NC(=O)C=Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330513277 MJBNAUUFJFXFJL-DEOSSOPVSA-N 493.604 3.503 10 10 JHCE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 33774610 JZZJTBMCJHMPMP-NRMLNOAJSA-N 466.519 3.719 10 10 JHCE Cc1c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(NCc2ccccc2)n(C)c(=O)c1C#N 40066593 CXSSAQLOTKCJQL-BCUAHEQISA-N 480.615 3.558 10 10 JHCE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 59415908 AKTDOMMTCABGMC-BHIFYINESA-N 482.448 3.598 10 10 JHCE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 1083967237 OUEDJWAMPYVAKP-BOPFTXTBSA-N 494.504 3.981 10 10 JHCE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(CC)CC)cc1 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488.588 3.794 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(F)cc3)CC2)cc1 1862065272 FXYGWAWNTMDCPK-VWLOTQADSA-N 479.527 3.663 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(Cl)s3)CC2)cc1 1862247295 MCHMSWIHDFNJLP-KRWDZBQOSA-N 468.044 3.610 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2n[nH]c3ccc(Br)cc23)c2nccn2C)cc1 1866019088 OCHLVFUHLCQMIB-GOSISDBHSA-N 453.344 3.644 10 10 JHCE CCCC[C@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869035182 BAGNZJLXUSEREI-NLFFAJNJSA-N 477.605 3.779 10 10 JHCE CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870623230 LLCJSVSBOSHBSG-UHFFFAOYSA-N 451.542 3.917 10 10 JHCE COCCN1C(=O)C(Nc2cccc(N(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420133 HBCWPBQKKFRTRB-UHFFFAOYSA-N 458.562 3.999 10 10 JHCE Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017601 SLYGHXQGXWFKBR-UHFFFAOYSA-N 476.492 3.831 10 10 JHCE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2040499170 UMYWEFMYXYSJAI-UHFFFAOYSA-N 494.642 3.977 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484.487 3.760 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)SC1=S 34799193 BGPGICLOAUVAKD-GHRIWEEISA-N 453.545 3.643 10 10 JHCE Oc1c(I)cc(I)cc1[C@H](C1CCC1)N1CCOCC1 575291997 KTWOFGXZGYTKBS-AWEZNQCLSA-N 499.130 3.775 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)cc2)CC1 1634074058 IJWQIKQEQIVVER-UHFFFAOYSA-N 455.864 3.837 10 10 JHCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)n(C)c(=O)n4C)c(C)s2)cc1 1859574343 XZRRQOTXWXVSLY-UHFFFAOYSA-N 458.565 3.508 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864014274 QXUNVLIETXTHIR-JOCHJYFZSA-N 498.539 3.790 10 10 JHCE CC(=O)c1ccc2c(c1)oc(=O)n2[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865769724 ZVZMGECGIYYEQQ-CYBMUJFWSA-N 454.438 3.772 10 10 JHCE CSCC[C@@H](NC(=O)Cc1ccc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867256413 CGRDGKRWAAHTOJ-OAQYLSRUSA-N 476.554 3.783 10 10 JHCE CCCOC(=O)COc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871237466 YJMWLHDRJTWGMU-UHFFFAOYSA-N 492.576 3.672 10 10 JHCE 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COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)cc1 2294216908 OKQUEXKXUKMQMU-UHFFFAOYSA-N 450.447 3.704 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2S1 2297345858 IZVVIXOZDFBSCK-UHFFFAOYSA-N 469.331 3.875 10 10 JHCE Cc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(OCC(=O)N4CCCCC4)cc3)SC2=S)cc1 2314769238 WFKJFRKCWIHVSR-UHFFFAOYSA-N 495.626 3.933 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 15040446 MMYCNLQXPBOSJS-JXAWBTAJSA-N 480.608 3.534 10 10 JHCE CCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 40562650 PEGLHDWAHJTIDQ-RGEXLXHISA-N 454.621 3.938 10 10 JHCE CCOc1ccc(NC(=O)CN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 210677323 HYVHVIKTGVOKAG-WOJGMQOQSA-N 474.560 3.648 10 10 JHCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@@H]1c1ccc(O)c(O)c1 526480972 PUCWOIGKIKFNAG-QFIPXVFZSA-N 477.469 3.959 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(OC)c1OC 1084003368 VNHHEQFVDMEESL-ZSOIEALJSA-N 489.322 3.758 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1O 1084352339 LLVRLTIQYBDIDE-SDQBBNPISA-N 465.687 3.792 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=S)NS(=O)(=O)c3cccc(Cl)c3)ccc21 1858610052 BCRNPEIAXKNURM-UHFFFAOYSA-N 456.932 3.791 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865026378 MTLVIQWIYGNFKE-OAQYLSRUSA-N 482.968 3.867 10 10 JHCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(CO)c1I 2079858521 RCDZLTHNFHSOJD-LLVKDONJSA-N 456.202 3.712 10 10 JHCE CC(C)(C)OC(=O)NCCCN(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 2201006578 PTUHSTWUJOTACV-WOJBJXKFSA-N 475.586 3.519 10 10 JHCE COc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2297297164 BUSAXHUVRGDBIU-UHFFFAOYSA-N 491.459 3.590 10 10 JHCE COc1c(Br)cc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1Br 2297577741 WNONHIOFYDONKR-UHFFFAOYSA-N 467.160 3.506 10 10 JHCE CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O 2313560416 SGVCIPHCVWUSMV-UHFFFAOYSA-N 462.374 3.772 10 10 JHCE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)C2=O)cc1 2314832428 HALZODOMSIWAPT-KRWDZBQOSA-N 484.530 3.536 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)O 2314934834 KULUTPBRAFTYRW-GFCCVEGCSA-N 490.534 3.623 10 10 JHCE CC(=Cc1cccc(Cl)c1)C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330531379 ZXNHSSURKHDBGS-JOCHJYFZSA-N 488.927 3.635 10 10 JHCE CC(=O)N(c1nc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cs1)c1ccccc1F 12980412 GTYPGLFOBBHPBE-ZSOIEALJSA-N 451.526 3.643 10 10 JHCE Cc1cc(NC(=O)C2=S=C(S(=O)(=O)N3CCC(C)CC3)C=C2)ccc1-c1ccncc1 1583979630 COWKJJAUVMNTDD-UHFFFAOYSA-N 455.605 3.663 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCCCc4ccccc4)c4ccccn34)CC2)cc1 1858224056 NIKLFSRGUNVWOF-UHFFFAOYSA-N 497.599 3.668 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 1862253901 IBDXBXLHWUEQMW-HXUWFJFHSA-N 459.546 3.955 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864012589 DOLXRAVUBBCYJZ-QFIPXVFZSA-N 476.577 3.906 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018579 OIRPZRNFPGISSC-OAQYLSRUSA-N 480.540 3.511 10 10 JHCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865033287 WCOHTQHEJWXAJH-QHCPKHFHSA-N 488.588 3.570 10 10 JHCE COc1cccc2c1C(=O)N([C@@H](C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C(C)C)C2=O 1865835702 NZJCCCSKADQDHF-HSZRJFAPSA-N 482.492 3.730 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccn4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970251 GPASXPIKIQBFNW-UHFFFAOYSA-N 489.967 3.903 10 10 JHCE CCCCOc1cn(CCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870663066 FUYXLKCAMBMDPQ-UHFFFAOYSA-N 470.658 3.700 10 10 JHCE CN(C)CCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873865618 ORVBSFCIRAGNKD-MHZLTWQESA-N 473.621 3.636 10 10 JHCE CC[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017768 VRVJCNFFLZXXBS-MWTRTKDXSA-N 476.554 3.794 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2053498743 RLTVWIUZNYQOCN-UHFFFAOYSA-N 480.571 3.565 10 10 JHCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC1(O)CC(NC(=O)OC(C)(C)C)C1 2106611511 RIDAMFSBPVMZDF-UHFFFAOYSA-N 461.603 3.882 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Cl)c1OC 2294094916 DNHWUCWHGDMHDR-UHFFFAOYSA-N 465.687 3.786 10 10 JHCE C[C@H](O)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2296720334 RPWGAUKTVTUSFG-ZDUSSCGKSA-N 487.006 3.542 10 10 JHCE Cc1ccc(CNC(=O)C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C)c(O)c1Br 2380739565 LPJIXJMCWNRHHM-GFCCVEGCSA-N 451.308 3.970 10 10 JHCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OC(C)C 1135060 XNMPGGCZVTVMTB-WOJGMQOQSA-N 478.368 3.690 10 10 JHCE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2509070 CKWJQKKHHOTUJL-CCEZHUSRSA-N 455.399 3.814 10 10 JHCE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39989707 CJJMOGUSLXZZDT-JVYQZZMCSA-N 486.663 3.665 10 10 JHCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 102783040 UOWJVFKDOJGQDT-OYRHEFFESA-N 464.522 3.610 10 10 JHCE COc1cccc2cc(-c3ccc(OCC(=O)NCCc4ccc(O)c(O)c4)cc3)c(=O)oc12 1860284516 UPSUPFKTKIFVOL-UHFFFAOYSA-N 461.470 3.618 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3c(OC)cccc3OC)c3ccccc3)CC2)cc1 1862123837 BVUSOVGTOSXPRF-SANMLTNESA-N 489.572 3.532 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3cccc(Cl)c3)CC2)cc1 1862141805 MMLURFMCAGMAJH-FNNZQJQASA-N 472.010 3.612 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008077 BCEVAFGWMBTHNY-QFIPXVFZSA-N 462.550 3.757 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027733 JXGZQNBAQNYOSD-XDHUDOTRSA-N 488.588 3.913 10 10 JHCE CC[C@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867389188 TXUUVPWCIXVDCH-LOSJGSFVSA-N 466.626 3.613 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868691692 OLFJROUZBYAWHZ-PXDATVDWSA-N 451.611 3.987 10 10 JHCE CCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871688327 IUFPFRQHKCFROY-UHFFFAOYSA-N 477.613 3.901 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(F)cc5)ncnc4n3C)CC2)cc1 1875195590 LVVVJSPGNJGJMJ-UHFFFAOYSA-N 474.540 3.691 10 10 JHCE CCc1nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c(I)c1C(=O)O 2079977444 MAQZMOJIFPCMHS-OAHLLOKOSA-N 456.280 3.852 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1C(=O)O 2296885492 XHGZBJVDTKNOKC-UHFFFAOYSA-N 460.508 3.850 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(O[C@H](C)c4ccccc4)cc3)C(=N)N21 2297345254 GEALBBXOXUXSCH-CQSZACIVSA-N 468.560 3.838 10 10 JHCE Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 2297346290 SCCUIHFNVMGDJK-UHFFFAOYSA-N 475.983 3.677 10 10 JHCE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(SCc4ccco4)o3)C(=O)N=C2S1 2297348282 MMFMZDVYNBKUNS-UHFFFAOYSA-N 478.577 3.812 10 10 JHCE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1 2297477432 JJQYPMJLMLHBNW-UHFFFAOYSA-N 456.545 3.799 10 10 JHCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2314769969 XKZJKTZRDLFSGK-HNNXBMFYSA-N 489.372 3.887 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 103040644 WUNGOWHMROPJLL-UDWIEESQSA-N 451.573 3.737 10 10 JHCE COc1ccc(N2C(=O)[C@H]3[C@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 104356393 IXJIORVRZSWRLY-VPTGYYDYSA-N 479.488 3.731 10 10 JHCE CN(C)S(=O)(=O)N(CCCOc1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O 586234898 ZCKSKARTUBVOLE-UHFFFAOYSA-N 464.543 3.544 10 10 JHCE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NCc1cc(Cl)cc(Br)c1O 708110771 HDLDQRXBZDPIQF-CRNXPOROSA-N 461.784 3.968 10 10 JHCE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)C1=O 1084020194 JDQIVAGNMWZOBN-QPEQYQDCSA-N 493.697 3.541 10 10 JHCE CC(=O)c1cc(F)cc(CN(Cc2ccccc2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O 1473534398 CFFIYWFACNIAFC-FGZHOGPDSA-N 458.530 3.716 10 10 JHCE CCc1sc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc1-c1ccc(OC)cc1 1858034190 DPHAQLKEUCXOIX-UHFFFAOYSA-N 471.560 3.835 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864022111 SZIYFAFOAVLUGV-QFIPXVFZSA-N 476.577 3.629 10 10 JHCE COC(=O)c1c(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)sc(C)c1-c1ccccc1 1866112518 ZHNSEQXNDHWNFY-IBGZPJMESA-N 452.532 3.902 10 10 JHCE C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867392757 MCGBYGKAGIILHK-JPYJTQIMSA-N 457.018 3.868 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@@H](CO)c4ccccc4)c4ccccc34)[C@@H]21 2068913555 ZIUZBDXIJVSHCZ-NEKDWFFYSA-N 480.568 3.638 10 10 JHCE COC(=O)c1c(C(F)F)nn([C@H](C)c2ccc(OC)cc2O)c1I 2079872433 ABFZHTSFVNMUGW-SSDOTTSWSA-N 452.195 3.535 10 10 JHCE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNCc2cc(Cl)cc(Br)c2O)C1 2237802347 XWIDYBOTHFIENG-ORAYPTAESA-N 461.784 3.924 10 10 JHCE O=C1/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 33528800 BBQGITRRYLRPDH-OKSBFYSISA-N 470.620 3.819 10 10 JHCE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccccc2)SC1=S 40066600 QVOXQGLIJRHTIA-MOSHPQCFSA-N 482.631 3.805 10 10 JHCE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Br)cn4)c3[N+](=O)[O-])CC2)cc1 40611186 ZMGGUVFTTDOFQA-UHFFFAOYSA-N 486.330 3.621 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@H](NC(C)=O)CCO4)cs2)c1 170549529 KLTHIKWLAMVBLT-QGZVFWFLSA-N 489.575 3.588 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc1 206714634 VEENZNKTMIEOSO-CYVLTUHYSA-N 478.636 3.868 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nonc3-c3ccc(OC)cc3C)C2=O)cc1 207314916 JRCKMCQZFVNAHQ-WOJGMQOQSA-N 496.570 3.902 10 10 JHCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)C1=O 210494350 XPFFCELQKCMBKK-FLUDQZEQSA-N 482.539 3.869 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 210497268 YOZGHWRGJDVMCO-CXUHLZMHSA-N 494.497 3.922 10 10 JHCE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H](CN4CCCCCC4)C3)cc2F)C[C@@H](C)O1 728686951 ZGXMZOJGNGYQCX-AKFKNWHVSA-N 474.665 3.644 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1286842776 BGJYWXQIEMIVKX-UHFFFAOYSA-N 456.610 3.711 10 10 JHCE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705811513 FNKWTVKYLUNQNY-NRFANRHFSA-N 453.612 3.942 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3ccc(N(C)C(=O)Cc4ccccc4)cc3)CC2)cc1 1858107456 BYDIIRLEHFMJSI-UHFFFAOYSA-N 457.574 3.792 10 10 JHCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H](C)CC)[C@@H]2c1ccc(O)c(O)c1 1864017375 KPHPTYKWKGALJZ-YCRPNKLZSA-N 492.576 3.989 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018513 MSRBJWRVTFFJDR-QFIPXVFZSA-N 492.551 3.798 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867958383 VLUGYIWHKCLWJX-UHFFFAOYSA-N 488.636 3.709 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3CCN(C)C)CC2)cc1 1870630158 XQPCLAPOTVNGTA-UHFFFAOYSA-N 490.648 3.628 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCc6ccccc6C5)ncnc4n3C)CC2)cc1 1873544654 PHKWDSFFHQYRDT-UHFFFAOYSA-N 482.588 3.502 10 10 JHCE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)c([N+](=O)[O-])c1 2294199228 GVZVOFKMUIHARX-UHFFFAOYSA-N 476.514 3.842 10 10 JHCE Cc1cccc2cc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2314650562 ONAJOLKZZFMODI-IBGZPJMESA-N 496.658 3.625 10 10 JHCE COc1ccc2[nH]cc(C=C3SC(=S)N([C@H](Cc4ccc(O)cc4)C(=O)O)C3=O)c2c1 2318684297 YIFDMDSHAXUDID-GOSISDBHSA-N 454.529 3.779 10 10 JHCE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 2532984 QUBICQGOSIYXAP-FMQUCBEESA-N 451.573 3.880 10 10 JHCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 15045735 UFWOQUUBUBGSLN-NCUBORBFSA-N 458.561 3.946 10 10 JHCE CCOc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1C 38619378 LAWWVLSWXOJPBT-XMMPIXPASA-N 499.633 3.837 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 39836137 RWDZXEWQJIDMTF-QGOAFFKASA-N 467.572 3.951 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)cc(Br)c1O 40888818 YQCYMONWESREDC-AUWJEWJLSA-N 474.398 3.954 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc4oc(C(F)(F)F)nc4c3)CC2)cc1 730664750 DBUUJLQZCBMQKV-UHFFFAOYSA-N 463.460 3.799 10 10 JHCE COC(=O)[C@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CN1Cc1ccccc1O 1615699280 FPBHOKLENFOVCS-RHSMWYFYSA-N 456.848 3.610 10 10 JHCE CC1(C)C(=O)Nc2ccc(-c3csc(NS(=O)(=O)c4ccc(F)c([N+](=O)[O-])c4)n3)cc21 1859574067 NGGWKNCMIVZDPX-UHFFFAOYSA-N 462.484 3.888 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)NCc2ccc(C(=O)O)cc2)sc(C)c1-c1ccc(C)cc1 1860760969 JYMMSMAETIRHNQ-UHFFFAOYSA-N 466.515 3.772 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864021814 GYXPUPVIIGPLCS-KRWDZBQOSA-N 488.466 3.652 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(N(C)C)cc3[nH]2)N2CCCCC2)cc1 1866502413 IFPMEXSSPUEZIW-VWLOTQADSA-N 461.610 3.617 10 10 JHCE CCCCn1c(C(=O)NCCC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873577744 FWVAAFPXRUYAMU-UHFFFAOYSA-N 450.587 3.706 10 10 JHCE CCN(CC)CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1875201663 VFNAGTVXAHVOHQ-UHFFFAOYSA-N 493.656 3.566 10 10 JHCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C2(C)CC2)c(C(=O)O)c1I 2080038481 RLENZOVJRQFLGI-LBPRGKRZSA-N 456.280 3.951 10 10 JHCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)SC1=Cc1c[nH]nc1-c1ccccc1 2296157221 VAPJTHLBWGUNDP-UHFFFAOYSA-N 460.519 3.777 10 10 JHCE CS(=O)(=O)c1ccc2c(c1)SC1=NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N12 2296347554 XDKHIYMTLYWMNU-UHFFFAOYSA-N 493.522 3.917 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 2313548336 SPTAVUDPRYHEQQ-UHFFFAOYSA-N 459.506 3.693 10 10 JHCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 2313631166 DNFXLPYTFVQPME-UHFFFAOYSA-N 471.513 3.933 10 10 JHCE O=C(O)CN1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314397364 FKPSIIZPUKICTL-UHFFFAOYSA-N 480.926 3.782 10 10 JHCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 2314768403 GGQWRKOSIVHRHH-UHFFFAOYSA-N 483.615 3.788 10 10 JHCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15048306 NEXKTMCQAIASHL-ATPAHOSSSA-N 454.573 3.924 10 10 JHCE COc1ccc(N2CCN(c3cc(C(=O)NCc4ccncc4)c4ccccc4n3)CC2)cc1 23459593 WYCZRMQBXGJRHZ-UHFFFAOYSA-N 453.546 3.895 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=N)N21 96460561 GOKNEEOLUYWKNO-ODXNEQJUSA-N 469.592 3.722 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 742927958 BTSJJHYMRUKEKB-UHFFFAOYSA-N 450.505 3.678 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3OCC(C)C)CC2)cc1 1862054934 BVWRSLCIHMKJMK-DEOSSOPVSA-N 465.594 3.683 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026369 MNCQPZIWRDVKNX-QHCPKHFHSA-N 492.551 3.887 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865029481 OFWCMRLWFDTHOU-QHCPKHFHSA-N 474.561 3.538 10 10 JHCE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867875352 RISSLCRGMCDMGL-NOZRDPDXSA-N 495.624 3.821 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3ccc(Cl)cc3Cl)CC2)cc1 1872636288 IUHMDIOMLOWCAU-UHFFFAOYSA-N 477.348 3.855 10 10 JHCE CCCCOCCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165482 KYBACMYQECZREP-UHFFFAOYSA-N 480.653 3.922 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1ccc(OC)cc1 2294311834 UTYDFXBQUVYIPR-UHFFFAOYSA-N 464.547 3.677 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2297349706 MMCHCWGFGMYKDU-UHFFFAOYSA-N 487.515 3.649 10 10 JHCE O=C1C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2314413573 BBQGITRRYLRPDH-MRXNPFEDSA-N 470.620 3.819 10 10 JHCE CCCOC(=O)CCN1C(=O)C(=C2C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2314759580 CSWQPBOUURFIDN-UHFFFAOYSA-N 483.409 3.730 10 10 JHCE O=C(O)CCCNC(=O)CCCN1C(=O)C(=Cc2cccc(Cl)c2Cl)SC1=S 2314832018 XXYWVLVXLHIQFA-UHFFFAOYSA-N 461.392 3.956 10 10 JHCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(CC(=O)O)cc2)C1=O)C(=O)O 2314926058 ABHOQJPXOCAVPU-INIZCTEOSA-N 457.529 3.962 10 10 JHCE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O)C(=O)O 2314926268 FGEIIMVYZYDFPV-MAUKXSAKSA-N 457.529 3.956 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccc(Br)cc3)CC2)cc1 2328572404 QVJSXCYJBLNWTL-UHFFFAOYSA-N 486.410 3.715 10 10 JHCE C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 15040733 VPKLWMXYSUJITP-IEOAWGNMSA-N 484.599 3.836 10 10 JHCE O=C(O)CN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S 33511534 PDLAEVKFEODDDQ-CHHVJCJISA-N 461.433 3.581 10 10 JHCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33780930 QMGHSPLXHDRFQM-GYXHFJGISA-N 470.620 3.738 10 10 JHCE COCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33803849 COSMPNLCPZKEBG-XDHOZWIPSA-N 498.605 3.992 10 10 JHCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990069 UHCLKSUHFNJFDB-CCRNYGKSSA-N 474.652 3.522 10 10 JHCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)cc1 40321408 QVIAPOZGWMBROW-NRFANRHFSA-N 468.575 4.000 10 10 JHCE CC(=O)N1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCSc2nccs2)CC1 1705979681 VOFLCKQPPIKGRH-UHFFFAOYSA-N 474.631 3.706 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864014095 NHHIXKXBOFSQFZ-KKVAFCGZSA-N 454.571 3.656 10 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Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(C(C)C)C2=O)c2ccccc21 2533307 IKIULHJXBXKYIN-FMQUCBEESA-N 451.573 3.960 10 10 JHCE COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc(Cl)c1OS(C)(=O)=O 6133850 HAVCEFVVVAUIFT-PJXGODPKSA-N 489.962 3.991 10 10 JHCE COCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 33389006 QTXKEFMOTWNNJH-JZBMNUFDSA-N 466.588 3.715 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=N)N21 96460558 JQYDCKJQKQDZGJ-AMWUQPRHSA-N 469.592 3.722 10 10 JHCE COc1ccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1150068050 BMFNZJSBXVXDKV-RUZDIDTESA-N 459.546 3.524 10 10 JHCE CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)c2ccccc21 1682687728 HGCOSFOIQMCTQW-HYFFOGBASA-N 454.546 3.736 10 10 JHCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)Cc1cc(C)on1 1705930713 UMDNPAGSNDPNHU-UHFFFAOYSA-N 494.621 3.886 10 10 JHCE COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1Cl 1858074694 RDJKHFCEXDXKMK-OAQYLSRUSA-N 452.020 3.920 10 10 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460.530 3.563 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)CCCSC)n(-c4ccccc4)n3)CC2)cc1 1869970485 KTBNCUDRJWHCDI-UHFFFAOYSA-N 466.611 3.684 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2296542704 BQFMMMAYIZCYJD-CABCVRRESA-N 458.609 3.594 10 10 JHCE COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)o1 2313557332 ALROVISERJVVSV-UHFFFAOYSA-N 451.366 3.669 10 10 JHCE CCOc1ccc(NC(=O)CN2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2314827582 HYVHVIKTGVOKAG-UHFFFAOYSA-N 474.560 3.648 10 10 JHCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836687 INEPWVCOJHMYJD-GFCCVEGCSA-N 485.425 3.800 10 10 JHCE COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 2401166 HHSCJNGFGUWKRA-KEZOAJOQSA-N 472.541 3.903 10 10 JHCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1cc(OC)c(Cl)cc1OC 20287700 BOWRBUVGOHTWAC-CIAFOILYSA-N 488.884 3.917 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 35624096 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COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCOc4ccc(C)cc4)cc3)CC2)cc1 1872718002 GSKYBKKIHUXNCN-UHFFFAOYSA-N 482.602 3.972 10 10 JHCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCCO)ncnc21 1875211391 COKWSNOSJIHENA-UHFFFAOYSA-N 494.640 3.777 10 10 JHCE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl 2294093870 YTNVSJOSRQYHMI-UHFFFAOYSA-N 493.299 3.610 10 10 JHCE CCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)SC1=S 40888813 TVTSPIKHCWSSLW-LCYFTJDESA-N 460.371 3.708 10 10 JHCE CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(Cc4ccncc4)CCC(=O)NCC3)cc2)CC1 257183304 RHEKQEQFLDKTEH-AREMUKBSSA-N 491.680 3.743 10 10 JHCE CC(=O)N(c1ccc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1)[C@@H]1C[C@@H]1C 1662057714 AXMUIBDZVQYPME-OYHNWAKOSA-N 458.509 3.884 10 10 JHCE C[C@@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 1858694924 OIDDOMZSPGONHL-HUUCEWRRSA-N 476.489 3.669 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCc3ccccc3)CC2)cc1 1862285279 APEUHYUHTOALMU-MHZLTWQESA-N 489.591 3.843 10 10 JHCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccc(O)c(O)c1 1865029329 KQWLJRASHWEJHV-HXUWFJFHSA-N 456.587 3.907 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(C)CC4)nc(-c4ccccc4C)n3)CC2)cc1 1867962190 SNQNCWHNLAMVKI-UHFFFAOYSA-N 458.610 3.539 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4CO)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986681 MXLDGKSUKXIURJ-JOCHJYFZSA-N 463.557 3.579 10 10 JHCE CCC[C@@H](NC(=O)CCCC(=O)c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868734202 CPMRKSKESVHPAJ-OAQYLSRUSA-N 471.623 3.743 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C)nc(C(C)(C)C)n3)CC2)cc1 1869196401 VGXGSVUSKAUYPS-GOSISDBHSA-N 461.614 3.956 10 10 JHCE COCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871503270 GSNUMMSSBRQOGI-UHFFFAOYSA-N 477.613 3.554 10 10 JHCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873166546 RSIDBCAIAHVTOQ-UHFFFAOYSA-N 495.583 3.938 10 10 JHCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873170133 OWBCMYQJDTVWIU-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017413 PQRPRSOOVCYDOW-WNSKOXEYSA-N 494.544 3.933 10 10 JHCE CCOC(=O)c1cccc(-n2c(C)cc(C=C3NC(=O)N(CC(=O)Nc4ccccc4)C3=O)c2C)c1 2294034253 RWGRACVFTMUDHC-UHFFFAOYSA-N 486.528 3.802 10 10 JHCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)o2)cc1 2294094932 FDQONYJMPDWQPV-UHFFFAOYSA-N 460.442 3.798 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 2294199343 VGEXHTPZYUXBMP-UHFFFAOYSA-N 452.761 3.767 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=CC=Cc3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2313515190 YBQMJYVMLMOBLL-XMMPIXPASA-N 473.598 3.529 10 10 JHCE O=C(CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)NCc1ccccc1 15037178 BZFFZWIRLGIWBT-SXGWCWSVSA-N 463.378 3.672 10 10 JHCE COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3c2cc(OC)cc3[N+](=O)[O-])S1 58871003 SFSZHDUWICPXJM-UHFFFAOYSA-N 482.561 3.884 10 10 JHCE CCOc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OC 59861625 CKFYVMKJAGSPQW-LFIBNONCSA-N 473.323 3.561 10 10 JHCE 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O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccc2c(c1)CCC2 10674491 ZMQDTOMTQYCGIO-RGVLZGJSSA-N 452.557 3.535 10 10 JHCE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990028 PIJRXGYNCPTVOR-UYRXBGFRSA-N 474.652 3.522 10 10 JHCE COc1cc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226643462 OUKRZUALJHUNSX-IMWIBFENSA-N 463.578 3.927 10 10 JHCE CCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)C1=O 1084126558 RFMUPGWGJGOEIJ-ZDLGFXPLSA-N 452.308 3.934 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864013911 ITKLDOZVJASOJK-LJQANCHMSA-N 468.579 3.729 10 10 JHCE CCCCCCOC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872721843 XDUXFBHVHKZDME-UHFFFAOYSA-N 490.622 3.708 10 10 JHCE COC(=O)c1ccc(-c2nc3cc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1 1873506708 PKXWEHQVFZCOBB-UHFFFAOYSA-N 470.529 3.988 10 10 JHCE CCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccco1 1873596059 FOWURUHMHIBYSL-UHFFFAOYSA-N 474.565 3.548 10 10 JHCE 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CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)c2C)cc1 20208326 GDYXETSOSXAYPB-VKGGKSIRSA-N 469.592 3.668 10 10 JHCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccccc1C 20236540 DMQHFHBGDOUQPG-CSSLCGOOSA-N 463.490 3.920 10 10 JHCE Cc1ccc2nc(N3CCSCC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33880543 JKNYQVUDXJFPDE-SFQUDFHCSA-N 472.661 3.700 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)NCc3ccc(F)cc3)c3ccco3)CC2)cc1 38619994 GCZVAVQFOPQXEQ-QHCPKHFHSA-N 452.530 3.790 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 40314098 JZDOEHGNVKAXEF-FGZHOGPDSA-N 481.058 3.615 10 10 JHCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(OC)cc12 103525058 WNADWYVHGWNWKB-PCLIKHOPSA-N 476.533 3.557 10 10 JHCE CCOc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OC 1858592552 SIYRGGXHRLUOQV-QUYZQLMHSA-N 459.545 3.697 10 10 JHCE CCc1sc(NC(=O)C(=O)NC2CC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763878 PQNLHJHEGKIGTI-UHFFFAOYSA-N 451.342 3.744 10 10 JHCE 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JHCE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 2297499570 MXTMOPZCVOHMJT-UHFFFAOYSA-N 475.530 3.587 10 10 JHCE CCC[C@@H](NC(=O)C=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330452236 OPJKOAGLOOSPQG-HSZRJFAPSA-N 455.986 3.996 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C2=O)cc1 95547693 JLVGEQMKLSAPSI-XKZIYDEJSA-N 472.501 3.632 10 10 JHCE CC[C@H](C)[C@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044628 JEMXXGADCPKTBD-PUIUQNQWSA-N 474.605 3.702 10 10 JHCE O=C1CCCc2cc(-c3csc(NS(=O)(=O)c4ccc5nc(O)oc5c4)n3)ccc2N1 1859573948 XKQCCJROFASHOD-UHFFFAOYSA-N 456.505 3.733 10 10 JHCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864010892 QITWFXZOFQAJBZ-OAQYLSRUSA-N 460.534 3.518 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c2nccn2C)cc1 1866009458 AUDNQPVNIBMMFL-DEOSSOPVSA-N 497.530 3.945 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)c(C)c4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970467 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2313656847 WLKSUEOCOOXCJB-UHFFFAOYSA-N 499.614 3.723 10 10 JHCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)n3)cc21 11857871 GJJOPWNBBVNOLB-UHFFFAOYSA-N 486.575 3.705 10 10 JHCE CCN1C(=O)/C(=C/c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592448 ZJTRIWPAPQCWGT-PXLXIMEGSA-N 465.575 3.589 10 10 JHCE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 34255146 OHBMMXHZMGHBIA-GHRIWEEISA-N 470.576 3.527 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3cc(=O)c4ccccc4o3)c3ccco3)CC2)cc1 38598199 VCYBZJMRCIMATM-QFIPXVFZSA-N 473.529 3.688 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3cccc(OC)c3)c3ccco3)CC2)cc1 38619979 XTDMDVPPOVRYCP-HSZRJFAPSA-N 450.539 3.982 10 10 JHCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990366 KJGFJECTICTEHN-VJOZSWGJSA-N 486.663 3.809 10 10 JHCE CN(C)c1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 72413280 WIGDTXLORVZLHU-XMMPIXPASA-N 470.504 3.799 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)n[nH]4)s3)CC2)cc1 85664770 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COc1ccc(N2CCN(c3cc(N4CCN(C)[C@@H](c5ccc(F)cc5)C4)nc(C)n3)CC2)cc1 1869301791 YZDFEVLXCNQATF-RUZDIDTESA-N 476.600 3.752 10 10 JHCE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc21 2200986885 FLOUVNNDYRTNGB-GGPKGHCWSA-N 473.570 3.573 10 10 JHCE CN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296696359 JSIVZCBXHGUZLH-UHFFFAOYSA-N 476.627 3.985 10 10 JHCE CCn1cc(C=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c2ccccc21 2296929528 DPBNSHVIEHUCQF-UHFFFAOYSA-N 485.281 3.932 10 10 JHCE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCCO)nc3ccccn3c2=O)SC1=S 2314414821 NMPGELWVUAQIIT-OAHLLOKOSA-N 460.625 3.516 10 10 JHCE O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1ccccc1[N+](=O)[O-] 2314485903 GTNNSLFWUHRDCT-UHFFFAOYSA-N 494.348 3.864 10 10 JHCE CSC1(C(=O)N(C)Cc2ccc(C)c(Br)c2O)CN(C(=O)OC(C)(C)C)C1 2380767338 GFQOVKBDNJENFQ-UHFFFAOYSA-N 459.406 3.774 10 10 JHCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33458415 AEZDMTGTKQBWJD-GFILPNOVSA-N 484.647 3.760 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 33933462 CWEISYYZUFUTSX-XMHGGMMESA-N 496.614 3.553 10 10 JHCE Cc1c(NC(=O)c2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c(=O)n(-c2ccccc2)n1C 35655885 QVAUWPSYGMFVAS-AQTBWJFISA-N 464.572 3.568 10 10 JHCE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c1 213173383 KREKVIXDPBIRBD-ATVHPVEESA-N 481.555 3.780 10 10 JHCE CC(C)OCCCNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345042 POIRTOIHJHSFJE-UHFFFAOYSA-N 458.562 3.896 10 10 JHCE CC[C@H](C)[C@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC)C(=O)O 1860760865 GCGOVKPRVAPIMH-VOJFVSQTSA-N 460.552 3.681 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865034659 BJXJBBMSIPQHAF-MGPUTAFESA-N 454.571 3.608 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871719889 KXCFCACKJOFQIX-UHFFFAOYSA-N 497.603 3.733 10 10 JHCE COc1cccc([C@@H]2[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)c1OC 1874016553 GFNSOXKDRXPPMN-YADARESESA-N 484.508 3.637 10 10 JHCE CCOc1cccc(N2C(=O)C(=Cc3ccc(N(CC)CC)cc3OC)C(=O)NC2=S)c1 2297305796 QCLGRMNMIQAMHR-UHFFFAOYSA-N 453.564 3.771 10 10 JHCE CCCCN1C(=O)C(=Cc2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S 2314414670 IJAORGCZPZVWEX-UHFFFAOYSA-N 460.625 3.843 10 10 JHCE COc1ccc(N2CCN(C(=O)c3csc(NC(=O)Nc4ccc(F)cc4)n3)CC2)cc1 8979971 JQXYUACZIGHAAP-UHFFFAOYSA-N 455.515 3.897 10 10 JHCE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 109300204 VHDIGEVPXGZQSV-NRFANRHFSA-N 488.654 3.777 10 10 JHCE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCSc2nccs2)CC1 1705640466 SZWAOZOODJAVLM-UHFFFAOYSA-N 473.071 3.916 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@](C)(O)C(C)C)CC1 1760597192 HAYNFICUMRDXBZ-HHHXNRCGSA-N 478.641 3.818 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cn3)CC2)cc1 1858429811 XRTCWVHDGTUVSC-UHFFFAOYSA-N 456.543 3.665 10 10 JHCE Cc1ccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(O)cc2=O)c(C)c1 1859616536 OSJIUCIBQBTJHX-UHFFFAOYSA-N 465.465 3.583 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864020759 GSTUSCVVCXKHNW-HXUWFJFHSA-N 454.571 3.656 10 10 JHCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865032584 GJBCVQAFTHYZLY-CMWQGSDOSA-N 466.582 3.516 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(OCC(=O)N2CCCC2)c([N+](=O)[O-])c1 1865783548 RTVMRJBAYPBPQH-UHFFFAOYSA-N 499.479 3.624 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868667661 LEJFZXCDGBRSEG-SANMLTNESA-N 486.616 3.660 10 10 JHCE COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)NN(c2ccccc2)C1=O 2293512356 ONMCWJKODCUERD-UHFFFAOYSA-N 475.457 3.523 10 10 JHCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 2314627493 BTUDVZFRTULOIO-UHFFFAOYSA-N 494.686 3.758 10 10 JHCE CCOc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1OC 16926736 LLGMVJJCSJGSEE-IDUWFGFVSA-N 459.501 3.896 10 10 JHCE O=C1c2cccc3cccc(c23)C(=O)N1N/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 95537035 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1869969973 BRCFAJNZGHHBQO-UHFFFAOYSA-N 478.597 3.558 10 10 JHCE CCCCCCOc1cn(CCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870673671 VFDDPMOSLDEMNK-UHFFFAOYSA-N 457.615 3.521 10 10 JHCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873545876 SMJPMJYBZMZQPA-BGYRXZFFSA-N 476.625 3.905 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCc3cccc(Cl)c3)cc1C2=O 1873906962 RXAZIDSKCLDFKZ-UHFFFAOYSA-N 491.883 3.896 10 10 JHCE COc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C(N)=O)c2I)c(O)c1 2080029634 BFLXDUXCEHUNSV-HNNXBMFYSA-N 469.323 3.598 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 2294093786 PKEQQFQJLNYMLM-UHFFFAOYSA-N 486.480 3.947 10 10 JHCE CCc1cc2c3c([nH]c2cc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)CCCC3=O 15733859 RUWNHKQPDVXAMR-UHFFFAOYSA-N 467.591 3.769 10 10 JHCE COc1ccc(N2CCN(c3cc(C(=O)NCc4ccccn4)c4ccccc4n3)CC2)cc1 23459748 ZUSJROQRLKROLF-UHFFFAOYSA-N 453.546 3.895 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)NCc4ccc(C)cc4)n3)CC2)cc1 33309954 LEDPEVHOHWQXRH-UHFFFAOYSA-N 463.607 3.529 10 10 JHCE O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/C=C\c1ccccc1Cl 33341000 GHQLUVGEZBESMU-QFJUEOODSA-N 450.663 3.962 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccco1 33598430 PSLOWURRLKTURM-XJWHVNBWSA-N 473.470 3.570 10 10 JHCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 40940385 OBVHIGYBAVTFDK-ZSOIEALJSA-N 465.896 3.509 10 10 JHCE Cc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)N=C2O)c(C)n1C[C@H]1CCCO1 59109283 IUAYKTUUTVSKPQ-HSNFWNHWSA-N 451.479 3.515 10 10 JHCE CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O 64971108 WIIYABFGPDPTJU-QFIPXVFZSA-N 458.566 3.533 10 10 JHCE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2C(=O)CSC2=O)cc1 72413155 JTWOVXBIUWHZNJ-IBGZPJMESA-N 456.955 3.779 10 10 JHCE CCOC(=O)c1c(N/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)sc2c1CCCC2 101350210 TYSIHVAGESVBKJ-FOWTUZBSSA-N 453.520 3.691 10 10 JHCE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1OC 101974248 VBCFQAOAMIYLFW-YLRSXTQRSA-N 468.556 3.546 10 10 JHCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN(Cc3ccc(F)cc3Cl)CC2)c1 915209577 ZXSRAECLXQENDZ-UHFFFAOYSA-N 475.992 3.537 10 10 JHCE Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CN(Cc4ccc(O)c(O)c4)CC[C@@H]2CC(=O)N3)cn1 1615936257 JTPTXVISHAMZRO-WOJBJXKFSA-N 462.550 3.748 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1 1861959862 ZLHNNHKVADWNTJ-AREMUKBSSA-N 492.019 3.967 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccs3)CC2)cc1 1862037304 ROAPLSSEWNPCFN-JOCHJYFZSA-N 467.566 3.586 10 10 JHCE COc1cc2[nH]c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2cc1OC 1866543231 LURFCOZMFUSDRJ-HSZRJFAPSA-N 478.593 3.568 10 10 JHCE CCCCc1ccc(Nc2nc(=NCCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871502280 PXBJYVQXRVHIFX-UHFFFAOYSA-N 491.640 3.509 10 10 JHCE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4cccc(N5CCOCC5)c4)cc3C2=O)cc1 1873744721 VSLMQAZNDDQASL-UHFFFAOYSA-N 471.513 3.580 10 10 JHCE NC(=O)[C@H]1CN(C(=O)C=Cc2cn(Cc3ccccc3)nc2-c2cccs2)c2ccccc2O1 2040438411 HKHBGVPPJWJPLA-JOCHJYFZSA-N 470.554 3.953 10 10 JHCE CSC1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N12 2297341029 HDVJZBLVMGSGQL-UHFFFAOYSA-N 452.517 3.934 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2ccccc2O)SC1=S 2314832068 YXHXBQKJQIKEEW-UHFFFAOYSA-N 464.609 3.915 10 10 JHCE COc1cc(NS(C)(=O)=O)ccc1N(C)c1c2cccc(C)c2nc2c(C(N)=O)cccc12 4194708 SCWLIXGHDZIONF-UHFFFAOYSA-N 464.547 3.943 10 10 JHCE CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)c1C 14754018 DYRDKVJYABDNSZ-AWEZNQCLSA-N 458.470 3.620 10 10 JHCE CN1C(=O)/C(=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 25759481 JSIVZCBXHGUZLH-CAPFRKAQSA-N 476.627 3.985 10 10 JHCE CNS(=O)(=O)Cc1ccc(CNC(=O)/C=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 30962254 KWLYPNPTZDTJAI-SDNWHVSQSA-N 451.592 3.781 10 10 JHCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1-c1ccc(F)cc1 96460869 BYARUHOPCCTZKK-QUYJEORZSA-N 473.555 3.633 10 10 JHCE NC1=NC(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)S1 213225200 NBZALCOJDRGQNM-RCCKNPSSSA-N 493.614 3.643 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3coc(-c4ccc(Cl)cc4)n3)cc2)CC1 1466882676 PVXMYAKKRJNRKA-UHFFFAOYSA-N 452.942 3.522 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3ccccc3C)n2CCCSc2nccs2)CC1 1722769619 APLDCYRCRXIBHW-UHFFFAOYSA-N 456.641 3.951 10 10 JHCE CCCOC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1858763639 MGEWHTYGQOCAKF-UHFFFAOYSA-N 485.496 3.781 10 10 JHCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCOc3ccccc32)n1 1867953173 QIWVEHKYECWGMJ-UHFFFAOYSA-N 461.566 3.531 10 10 JHCE CC[C@H](C)N1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 2040499449 YIWBXRFAAPBTJM-INIZCTEOSA-N 482.635 3.701 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 2200971955 PCSGXPSUDWZRRF-SFTDATJTSA-N 470.566 3.741 10 10 JHCE CC(C)(C)OC(=O)N1CCc2c(N3CCC[C@H](NC(=O)C(F)(F)F)CC3)ccc(N)c2C1 2270597112 ARAGFDKHRXXIRP-AWEZNQCLSA-N 456.509 3.599 10 10 JHCE Cc1ccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c(O)c1Br 2380749818 SHACCNJHXMPRRC-LLVKDONJSA-N 455.271 3.925 10 10 JHCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 15045732 UFWOQUUBUBGSLN-FHNWIRHTSA-N 458.561 3.946 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 20208098 PPAUHOZTFVCQBM-BZULZASTSA-N 495.508 3.734 10 10 JHCE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 20208682 PZDUHTVQFBRDFH-XYTBZZNTSA-N 487.519 3.502 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C(=N)N21 96460406 KIGBCCYTYDMLMD-AQECLBTLSA-N 488.978 3.930 10 10 JHCE CC(=O)N1CCC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccccc2O)C1 1596051348 MDCXHBPECOLBTD-KRWDZBQOSA-N 454.962 3.594 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864010122 PUOAOJDBXAZOIE-NRFANRHFSA-N 482.968 3.923 10 10 JHCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864010939 QNWSCOHTUPVWNN-HXUWFJFHSA-N 480.952 3.863 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865026900 SOTDLAIKXPCITI-HSZRJFAPSA-N 492.551 3.743 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1865033918 KIOWQPNPUOKAMF-INIZCTEOSA-N 480.487 3.820 10 10 JHCE COCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162367 RNZFUMBMEPHKMJ-UHFFFAOYSA-N 473.573 3.661 10 10 JHCE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCC(C)C)ncnc21 1875223838 QDHSNJAIFNJNDP-UHFFFAOYSA-N 480.613 3.507 10 10 JHCE NC(=O)c1c(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)sc2c1CCCC2 1787940 JYBJANMWEQIUNJ-FOWTUZBSSA-N 471.629 3.956 10 10 JHCE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 39991303 KHENSFONBULHOZ-JYAVETKUSA-N 474.652 3.663 10 10 JHCE COc1ccc(CC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1OC 62694645 DPXHWEPMLFIKSB-UHFFFAOYSA-N 493.579 3.820 10 10 JHCE O=C([C@H]1CN(C(=O)/C=C\c2c(Cl)nc3ccccn23)c2ccccc2O1)N1CCCCC1 96912122 BFPVAPVCNLIBCA-ZCPJJFRWSA-N 450.926 3.808 10 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COc1ccc(C=CC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 2328515086 YRDITZPUDVIWDM-NDEPHWFRSA-N 485.584 3.923 10 10 JHCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccc(Br)cc1 10672693 GTUYHAGPWOSRFR-LICLKQGHSA-N 491.388 3.809 10 10 JHCE CN(C)C1=CCC2=C(c3ccc(N4C(=O)C=CC4=O)cc3C(=O)O)c3ccc(N(C)C)cc3OC2=C1 12504018 KGFLZYXDJDOIEE-UHFFFAOYSA-N 483.524 3.808 10 10 JHCE in-vivo CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)c(Br)c3)C2=O)cc1 33409545 LKQDVXRDDIDMQU-DHDCSXOGSA-N 489.278 3.818 10 10 JHCE CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33516598 NHHKVQQDKMMHKX-NBVRZTHBSA-N 450.589 3.879 10 10 JHCE CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 34780160 XFLRFTFKCPIMOB-QGOAFFKASA-N 484.603 3.916 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38181791 MLXOMRPNSXYSNT-LFYBBSHMSA-N 451.313 3.835 10 10 JHCE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990294 MHMKRXOBPDPALS-UNOMPAQXSA-N 474.652 3.522 10 10 JHCE COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)cc1Br 96476787 IDSAYMQVYLMHSM-NTEUORMPSA-N 475.320 3.673 10 10 JHCE O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(N2CCCCC2=O)cc1 107980759 XEBHNPNDZXZYJY-UHFFFAOYSA-N 461.484 3.989 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnn(-c4ccccc4C)c3C(C)C)cc2)CC1 1632944812 HDMMZQMMJKRJMD-UHFFFAOYSA-N 459.594 3.903 10 10 JHCE CC[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862111497 DIVABFWTERPNJR-QFIPXVFZSA-N 474.001 3.750 10 10 JHCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC2)[C@@H]3c2ccc(O)c(O)c2)c1 1865028128 PYSWSPNXLJACFI-HSZRJFAPSA-N 474.561 3.585 10 10 JHCE CC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663623 HGYLKEGKZFJPSY-KAYWLYCHSA-N 486.616 3.660 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869315333 CWTRZKIGXFFYPB-HXUWFJFHSA-N 475.593 3.713 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(OC)c(OC)c4)n(C(C)(C)C)n3)CC2)cc1 1869970074 DUHSJWFJGJCUAB-UHFFFAOYSA-N 494.596 3.638 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccs4)n(-c4ccccc4)n3)CC2)cc1 1869970257 GYITTZYCPOHXEA-UHFFFAOYSA-N 474.590 3.845 10 10 JHCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCN(C(=O)OCC)CC2)C1=O 1873164684 NGIIURBUGCWBGC-UHFFFAOYSA-N 478.593 3.795 10 10 JHCE COc1ccc(OC)c2[nH]c(C(=O)NCCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc12 1874017769 VSZCGZSURTVSEW-UHFFFAOYSA-N 497.507 3.719 10 10 JHCE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079037628 MGMBVIYIDASWRK-LBPRGKRZSA-N 465.213 3.619 10 10 JHCE COc1ccc([C@@H](C)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079848902 OVGMHPHHXJTBRY-ZCFIWIBFSA-N 456.158 3.528 10 10 JHCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2294094857 AOWMNUHSJLERCJ-UHFFFAOYSA-N 480.816 3.693 10 10 JHCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 2294131107 ZSUOTBSXQYUQSI-UHFFFAOYSA-N 457.486 3.937 10 10 JHCE COc1cccc(O)c1CN1CCC2(CC1)C[C@@H]2C(=O)N1CCN(CC=Cc2ccccc2)CC1 2297517934 FVERRYWMKMSHND-RUZDIDTESA-N 475.633 3.861 10 10 JHCE CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(C[C@H]4CCCO4)c3C)C(=O)NC2=S)cc1 2313630117 KAXIVRJSJQEKGC-HXUWFJFHSA-N 453.564 3.514 10 10 JHCE CCCCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 2314414760 LNCOXTKUUQQJHK-UHFFFAOYSA-N 472.636 3.621 10 10 JHCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 2314767096 DRAPTBHSLFUPOP-QGZVFWFLSA-N 474.516 3.815 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1)C(=O)O 2314926187 CWMKUURESLIFDD-QGZVFWFLSA-N 457.529 3.962 10 10 JHCE CCCCN1C(=O)/C(=C/c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(O)=NC1=S 2279615 YGWNPNYEAAURGM-CPNJWEJPSA-N 477.542 3.759 10 10 JHCE CCCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)cc1 20034623 KYODDDOFOZXJDK-JCMHNJIXSA-N 493.541 3.967 10 10 JHCE COc1ccc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c(OC)c1 35623336 MXYJHXNLISVTQJ-APSNUPSMSA-N 462.465 3.749 10 10 JHCE O=C1C[C@@H](c2ccccc2)N(Cc2ccncc2)CCCN(Cc2cccc(F)c2O)CCN1 257178607 GPCYDWVUNWFVAN-VWLOTQADSA-N 462.569 3.882 10 10 JHCE Cc1occc1C(=O)NC1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 727604462 MBVNLIKGSVLKMZ-UHFFFAOYSA-N 476.524 3.762 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)c(OC)cc3C2)n1 1867957929 LLQSAFKKKVIGGC-UHFFFAOYSA-N 489.620 3.954 10 10 JHCE Cc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(C(N)=O)c2I)c(O)c1 2079007467 TUTQZNFCEQJKAH-QGZVFWFLSA-N 451.308 3.868 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2296885179 HIOHGXVHFBEMKX-UHFFFAOYSA-N 460.508 3.850 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCCCC4)c4ccccc34)C2=O)c1C 2297309996 KKWZNWLZUPTCCT-UHFFFAOYSA-N 484.556 3.937 10 10 JHCE Cc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 2297352704 NIVBEZGDRHSCOQ-UHFFFAOYSA-N 459.531 3.887 10 10 JHCE O=C(NN1C(=O)C(=Cc2ccccc2C(=O)O)SC1=S)c1ccc(Br)cc1 2314717375 JUKKXHAAJIDXAH-UHFFFAOYSA-N 463.334 3.694 10 10 JHCE CCCCN1C(=O)/C(=C2/SC(=S)N(CCC(=O)O)C2=O)c2cc(Br)ccc21 2509060 XYSCCMLLLPMVHR-CCEZHUSRSA-N 469.382 3.642 10 10 JHCE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3)CC2)SC1=S 39989850 SRMCPIPFODTFKE-QNGOZBTKSA-N 493.658 3.596 10 10 JHCE N=C1/C(=C\c2ccc(-c3cc4c(cc3[N+](=O)[O-])OCO4)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 102470191 CWTWQKNPSXXOFA-WENDLBEXSA-N 479.352 3.765 10 10 JHCE COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1[N+](=O)[O-] 1084529062 SREYDAKIHYIQFC-MDWZMJQESA-N 474.267 3.649 10 10 JHCE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N(C)C)c(F)c1 1705506235 TZXJVOUNDIJWCE-QRQLOZEOSA-N 470.593 3.760 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868672318 YMXKGHUWLKGYIA-AREMUKBSSA-N 486.616 3.660 10 10 JHCE CCOc1cccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C(O)=NC2=S)c1 2929097 OFRNRSWVEHNVBU-OVCLIPMQSA-N 457.464 3.682 10 10 JHCE COc1cc(/C=C2/C(=N)N3C(SCC(C)C)=NSC3=NC2=O)cc(OC)c1OC(C)=O 20114786 NCHDJMQADRZZBW-YHTHWOJUSA-N 462.553 3.595 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)cc1 20941439 XNTSDCKGEVQOFE-UHFFFAOYSA-N 477.609 3.610 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4cc(OC)ccc4OC)n3)CC2)cc1 33309919 BISUIDAOVGFYDF-UHFFFAOYSA-N 495.605 3.560 10 10 JHCE COc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c(OC)c1OC 39861765 MXZVPMOVNGBFTC-DHDCSXOGSA-N 475.500 3.515 10 10 JHCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 85653971 OSHWGYPDBAMIOM-UHFFFAOYSA-N 467.573 3.993 10 10 JHCE Cc1cc(CCNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccccc1 745995431 VFOTWQHQZFQUHN-UHFFFAOYSA-N 456.637 3.874 10 10 JHCE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 1084479268 QUULMECUGZAQCG-ODLFYWEKSA-N 478.436 3.816 10 10 JHCE COc1ccc(C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 1860891486 ZOPKXTVWSPCVAC-UHFFFAOYSA-N 458.562 3.976 10 10 JHCE CCCC[C@H](NC(=O)/C=C/c1cc(OC)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862238861 LWERGDMUZKBIDN-HRDREGIBSA-N 495.620 3.749 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864013442 BJTXAPWTLPYTDC-NRFANRHFSA-N 462.550 3.586 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864013756 ZVMZWIFUJLHOCG-OPAMFIHVSA-N 476.577 3.904 10 10 JHCE O=C(CNC(=O)[C@H](Cc1ccncc1)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868137575 QFRGOFUXMHSENA-XMMPIXPASA-N 489.531 3.938 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(NC(C)=O)c4)n(C(C)(C)C)n3)CC2)cc1 1869971132 YQFZOGLJAKOARU-UHFFFAOYSA-N 491.596 3.579 10 10 JHCE COCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870943177 BVUUMSPDFIYHNI-UHFFFAOYSA-N 464.566 3.754 10 10 JHCE NC(=O)COc1cn(CCCCN2CCCC2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871119604 GCEZKWPDYDYQBH-UHFFFAOYSA-N 489.620 3.944 10 10 JHCE CCCn1c(C(=O)N(CC)CC)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873548674 FFCXZAVWAZVZLB-UHFFFAOYSA-N 450.587 3.659 10 10 JHCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(c4nc5c(s4)CCC5)CC3)cc2F)C[C@@H](C)O1 2080390180 DNYXIAZZTPDMKT-HDICACEKSA-N 486.657 3.880 10 10 JHCE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 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CCC[C@H](NC(=O)c1cc(C2CC2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867150106 VDYFSENATBDUHX-IBGZPJMESA-N 456.502 3.600 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C(C)(C)C)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969694 JDMGIFPNBRUZGF-UHFFFAOYSA-N 464.570 3.596 10 10 JHCE Cc1ccc([C@H](n2nc(C3CC3)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2078994298 MOTGUJQXNGNIKF-INIZCTEOSA-N 451.308 3.868 10 10 JHCE CCOC(=O)COc1ccc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 2294741863 QPFJJCMNZMKQTK-UHFFFAOYSA-N 474.516 3.951 10 10 JHCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2296546061 KHSCZSYIBMPIQP-MRXNPFEDSA-N 472.636 3.701 10 10 JHCE CCC1=NN2C(=N)C(=Cc3ccccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)N=C2S1 2297306513 JVPPDGFHTZQCSV-UHFFFAOYSA-N 454.533 3.792 10 10 JHCE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 2297624493 WVWPJZVZBOUTBC-UHFFFAOYSA-N 477.300 3.910 10 10 JHCE CCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400176 JZSHSSXYASOADI-IYBDPMFKSA-N 472.636 3.618 10 10 JHCE 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COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCc3cccc(Cl)c3)CC2)cc1 1868956220 DAENKWWZUBKWSX-UHFFFAOYSA-N 458.002 3.915 10 10 JHCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871645947 WEFMJBPWJRLREH-UHFFFAOYSA-N 468.005 3.660 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 2314828959 XEAGMGHIGVQCLA-UHFFFAOYSA-N 477.361 3.987 10 10 JHCE COc1ccc(C=C2SC(N=c3[nH]nc(SCC(=O)Nc4ccccc4)s3)=NC2=O)cc1 2314951971 OZJBJWFZHZPERG-UHFFFAOYSA-N 483.600 3.782 10 10 JHCE Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc3n(c(=O)c12)N=C(c1ccc(O)c(O)c1)CS3 9475160 XBSQLUDLSWCIGI-UHFFFAOYSA-N 482.518 3.927 10 10 JHCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(OC)cc2)SC1=S 40066628 IHOPDXQZMTVCOX-ODLFYWEKSA-N 468.604 3.797 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)Cc3c[nH]c4ccccc34)C2=O)c1 62049867 KVTYXEDMQUJQEK-UDWIEESQSA-N 451.573 3.737 10 10 JHCE CN(c1ccc(CNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1)C1CCCCC1 72044187 YSOCAXANNIAVOP-UHFFFAOYSA-N 462.594 3.629 10 10 JHCE 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3.647 10 10 JHCE CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C2=O)cc1 1084554609 XYCRUPOFPWIDAO-CPNJWEJPSA-N 477.429 3.502 10 10 JHCE CCCc1nc2ccc(C(=O)N[C@H](CCC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1862108308 ZDZRPKIXPBPTSD-HSZRJFAPSA-N 477.609 3.771 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864010277 RDQRCTIUYMDNES-NYHFZMIOSA-N 462.550 3.831 10 10 JHCE CC[C@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867245781 WGQRTYGWAJVLJA-SFHVURJKSA-N 482.496 3.603 10 10 JHCE CCCn1c(C(=O)N2CCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873549138 ZUPHIFLFDVPEGT-UHFFFAOYSA-N 462.598 3.803 10 10 JHCE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNCc2cc(Cl)cc(Br)c2O)C1 2288512559 RKGOGOAFBXJNHY-UHFFFAOYSA-N 471.726 3.515 10 10 JHCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2293763634 YSNLOZCEXXRGNC-UHFFFAOYSA-N 460.895 3.732 10 10 JHCE COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)C(=Cc4cccs4)SC3=S)c2c1 2296885230 KCBSZBSJJVMASB-UHFFFAOYSA-N 457.602 3.798 10 10 JHCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CN=c1[nH]nc(-c2ccccc2)s1 2297453691 LBCXUYFTGPFRGQ-UHFFFAOYSA-N 487.326 3.950 10 10 JHCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2314541812 QMACMSPNQIDRJM-LBPRGKRZSA-N 471.343 3.783 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OC)c(F)c3)[nH]c3nc(O)[nH]c(=O)c23)c1O 8674004 ZYPMHOOGXSKBOC-UHFFFAOYSA-N 459.455 3.691 10 10 JHCE CSCC[C@@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870205 KCFXLTCGYFFOSJ-ICTKWWEQSA-N 464.634 3.547 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33511141 CYYLBIMHOLEFFQ-NBVRZTHBSA-N 472.636 3.923 10 10 JHCE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2=O)cc1 101974069 SKYMAONUJSVPPG-PBXDPIQXSA-N 456.520 3.758 10 10 JHCE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC[C@H](c3ccco3)N(C)C)C2=O)cc1 205607316 UKLPOFVRNHJRQI-SQVRNEIYSA-N 457.621 3.989 10 10 JHCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 1311735740 NNYBYEQCIMXDIH-CPJSRVTESA-N 456.631 3.797 10 10 JHCE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1)[C@H]1C[C@@H]1C 1562845850 XYKZBPPYAMCHMJ-FYSMJZIKSA-N 454.546 3.870 10 10 JHCE CN1C(=O)C(C)(C)c2cc(-c3csc(NS(=O)(=O)c4ccc(F)c([N+](=O)[O-])c4)n3)ccc21 1859482151 BOKUCQJHVIVFOW-UHFFFAOYSA-N 476.511 3.912 10 10 JHCE CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860747959 CXMKYHWSRVTENR-UHFFFAOYSA-N 476.510 3.840 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCCn2ccnc2)sc(C)c1-c1ccc(OCC)cc1 1860762366 DMITUQAKAROCKC-UHFFFAOYSA-N 484.578 3.640 10 10 JHCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864011594 WCLTZWZSZOQCJF-IBGZPJMESA-N 468.941 3.720 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864022452 XERIMHFYKPQDOV-JOCHJYFZSA-N 470.529 3.830 10 10 JHCE CCOc1cc(/C=C2/C(=O)N(C)N=C2c2ccc(OC)cc2)ccc1OCC(=O)N(CC)CC 1865677726 ZNTJEFOABLCPHR-RCCKNPSSSA-N 465.550 3.601 10 10 JHCE CCC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866606001 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COc1ccc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c(OC)c1 2296883090 MXYJHXNLISVTQJ-UHFFFAOYSA-N 462.465 3.749 10 10 JHCE CN(C)c1ccc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc1Br 2297549638 KVXFDGYJOVOZJE-UHFFFAOYSA-N 465.145 3.739 10 10 JHCE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCc3ccccc32)cc1 9526974 GIXHQFJXHNAKOF-XMMPIXPASA-N 479.602 3.606 10 10 JHCE COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 20356226 NHBRCCIPYHSFLT-FNKNWIJASA-N 491.573 3.825 10 10 JHCE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cc2)cc1 210607873 BATQYYKZFBXKNO-LVUASEOMSA-N 469.540 3.990 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CN(Cc4ccccc4)C[C@H]3CC(C)C)cc2)CC1 1634074988 XVKFUCREQGEJRT-IXCJQBJRSA-N 476.665 3.766 10 10 JHCE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)CC2=O)cc1 1859478702 FSLXIBTVYSIMSK-INIZCTEOSA-N 484.574 3.972 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccccc3F)CC2)cc1 1862115777 VRBMPYCINGTGHI-VWLOTQADSA-N 479.527 3.663 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864020738 GHZYMJNNHUWGSJ-FQEVSTJZSA-N 454.571 3.800 10 10 JHCE CCN(CCc1ccncc1)c1nc(=Nc2ccccc2O)nc(N(CC)CCc2ccncc2)[nH]1 1871730058 FICTXDMRVALUPJ-UHFFFAOYSA-N 484.608 3.671 10 10 JHCE CCOC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(CCOC)C2=O)CC1 2314647590 DRHAHNWSAYPAFJ-UHFFFAOYSA-N 485.631 3.862 10 10 JHCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314837740 WEGIIOZPTSCFNP-MRXNPFEDSA-N 484.599 3.836 10 10 JHCE CCN(CC)c1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c(=O)n1C 33453565 HOMOVWOBRNRDJP-XDHOZWIPSA-N 452.605 3.813 10 10 JHCE Cc1cc(/C=C\C(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)n1-c1ccc2c(c1)OCO2 96858853 AYIGFPRVCLBFDP-YVMONPNESA-N 463.559 3.882 10 10 JHCE CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 101077875 AJQJSNXIVJBGRM-STZFKDTASA-N 462.535 3.613 10 10 JHCE CC(=O)N1CCN(c2ccc(CN3[C@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CC1 206885450 WLCIIQPUMOJJOF-HOYKHHGWSA-N 459.587 3.550 10 10 JHCE 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COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2314769560 RXAOTAZJEDQCJQ-SFHVURJKSA-N 459.545 3.828 10 10 JHCE O=C(O)CCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 15034333 BDENCNGADQTPEG-BOPFTXTBSA-N 460.508 3.519 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-c5ccccc5OC)nn4)C3)CC2)cc1 22484378 UYJBLWBZPFSWKL-OAQYLSRUSA-N 487.604 3.726 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3ccc(Br)o3)C2=O)c1 62050355 RBZXLLCDTHRJJY-GXDHUFHOSA-N 467.366 3.682 10 10 JHCE CCOc1c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cccc1OC 1084160305 NXWSJSGVEKTSRN-PTNGSMBKSA-N 459.296 3.831 10 10 JHCE CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1286868819 PGMVESFMTXYPPN-UHFFFAOYSA-N 470.687 3.527 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCCCc4ccccc4)n4ccccc34)CC2)cc1 1858224416 VOFCVUYDGCNXDV-UHFFFAOYSA-N 497.599 3.668 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@H]2c1ccc(O)c(O)c1 1864010700 VTRABFPQRANVMY-QFIPXVFZSA-N 492.576 3.811 10 10 JHCE 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COc1cc(/C=C2/SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)cc(Br)c1O 1858590200 BRYUCGKZNXZWKR-QVIVLVACSA-N 478.411 3.571 10 10 JHCE Cc1ccn2cc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)C(=O)c4ccccc4C5=O)CC3)nc2c1 1860606736 ULWUHRKBWMWQLX-UHFFFAOYSA-N 492.535 3.909 10 10 JHCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864007282 JQNGWIJSPVYLMG-IBGZPJMESA-N 487.343 3.872 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865032910 NTAWHKDESMJQCJ-OPAMFIHVSA-N 474.561 3.799 10 10 JHCE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)C1 1867968415 RRSYUIKLRCDFHP-HXUWFJFHSA-N 481.641 3.889 10 10 JHCE COC(=O)COc1cn(CCC2=CCCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870449976 LTTDUTJWBCXYMR-UHFFFAOYSA-N 495.620 3.621 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cc(Cl)ccc3O)cc1C2=O 1873908013 DWXSBFJOAZOUSL-UHFFFAOYSA-N 493.855 3.924 10 10 JHCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1892101190 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480.608 3.534 10 10 JHCE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(CC)CC)cc1 1705491448 CUUMKTCWLQIFGP-NRFANRHFSA-N 472.641 3.805 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860759366 YRVVUOXOAQULDU-CQSZACIVSA-N 464.927 3.568 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccc(OC)c3)CC2)cc1 1862045777 AHWBQJPCNJCLOG-AREMUKBSSA-N 491.563 3.533 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H](C)CC)[C@H]2c1ccc(O)c(O)c1 1864015941 GUMOKUYXLYCQGW-YWZLYKJASA-N 462.550 3.981 10 10 JHCE CCCC[C@H](NC(=O)c1ccc(Cl)nn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867271976 XMUDCUYMVMAZDE-SFHVURJKSA-N 476.920 3.833 10 10 JHCE CC[C@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867389186 TXUUVPWCIXVDCH-DQEYMECFSA-N 466.626 3.613 10 10 JHCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)OCC4(C)C)nc(-c4cccnc4)n3)CC2)cc1 1869359285 BSAARZJCDRZJOF-FQEVSTJZSA-N 474.609 3.878 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)n(C)n3)CC2)cc1 1869969596 REJQOBMFLDFHBV-LJQANCHMSA-N 478.597 3.680 10 10 JHCE CCNC(=O)COc1cn(CCCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870971279 YOGJTUKKQPYRSV-UHFFFAOYSA-N 464.566 3.755 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cc(Cl)ccc4C)[nH]3)CC2)cc1 1871511218 SAQHKTQDOVUNMS-UHFFFAOYSA-N 482.032 3.824 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871719771 JEAAYMACCKAXPC-UHFFFAOYSA-N 497.603 3.998 10 10 JHCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H]3CCCO3)ncnc21 1875213252 MDOHASMHXMCUOX-JOCHJYFZSA-N 492.624 3.793 10 10 JHCE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2272654051 CKQPBMDPTBYEHQ-PUAOIOHZSA-N 458.603 3.913 10 10 JHCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1O 2297512376 FEFSXHZUZWRBAE-UHFFFAOYSA-N 464.219 3.624 10 10 JHCE Cc1ccc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2)cc1C 2297577721 URUZMGUDFLTHJC-UHFFFAOYSA-N 456.545 3.607 10 10 JHCE COc1ccc([C@@H](CN2C(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)N(C)C)cc1 2323879995 FAUJBWJOILEGEM-QGZVFWFLSA-N 489.575 3.822 10 10 JHCE CN1CCCc2cc(CN3CCC4(CC3)C[C@@H]4C(=O)NCCc3nc4ccccc4n3C)ccc21 12246383 AHOQDUMRYMJGHE-HSZRJFAPSA-N 471.649 3.917 10 10 JHCE Cc1c(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cnn1-c1ccc(=O)[nH]n1 12593862 JXMPFXHVNTWHJK-INIZCTEOSA-N 479.924 3.753 10 10 JHCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)c1 20710084 NHGFHRLVHFVRSR-GDEXEMPNSA-N 471.535 3.584 10 10 JHCE COc1cccc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 20898525 AVIXYXXUPANJAW-JOCHJYFZSA-N 480.524 3.924 10 10 JHCE CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33352297 LYJXUDODQQQSMN-VCHYOVAHSA-N 480.571 3.565 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccccn1 33457557 HUKOROPCJFEUNG-NVNXTCNLSA-N 495.376 3.718 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1)C(=O)c1cccs1 35960313 YEIQHLYHMMAIQP-QFIPXVFZSA-N 464.591 3.862 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(Br)o3)c3ccco3)CC2)cc1 38606490 AKXVOSPDBGCZDC-SFHVURJKSA-N 474.355 3.937 10 10 JHCE CCN(CC)C(=O)c1ccc(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 39857921 QYBOPMDFVDQFJG-UHFFFAOYSA-N 456.498 3.962 10 10 JHCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526469103 MDQQDRFAFVIRRQ-QFIPXVFZSA-N 477.469 3.959 10 10 JHCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012870 LHLUNYYWSZZINM-JOCHJYFZSA-N 476.577 3.823 10 10 JHCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031227 BVBKQMRPLMIWSK-HXUWFJFHSA-N 462.550 3.842 10 10 JHCE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNCc2cc(Cl)cc(Br)c2O)C1 2237802345 XWIDYBOTHFIENG-BFUOFWGJSA-N 461.784 3.924 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1F 2297341184 JDMIZZIWTVDODS-UHFFFAOYSA-N 462.433 3.785 10 10 JHCE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)c(Br)o1 2313556811 LOQFBYXXKMPKNA-UHFFFAOYSA-N 458.037 3.610 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OC 2313559058 PWPNUFDRFSZIEP-UHFFFAOYSA-N 463.259 3.662 10 10 JHCE CCC[C@@H](NC(=O)C=Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328565746 RAKJQRFRIWZCRW-HSZRJFAPSA-N 455.986 3.996 10 10 JHCE CCCCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33934073 CJBMPSGDERAYDO-KNTRCKAVSA-N 485.679 3.536 10 10 JHCE CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CCCSc2nccs2)[C@H](C)C1 1359395957 MRGFUSJQGWYJKL-GOSISDBHSA-N 486.667 3.861 10 10 JHCE COc1ccc(C)c2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866427220 AKTGYBNEGZDGIO-JOCHJYFZSA-N 462.594 3.868 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccccc2Br)N2CCCCC2)cc1 1867366532 KIRFJPNNCOMYIC-JOCHJYFZSA-N 487.442 3.588 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3C[C@@H](C)O)CC2)cc1 1870687700 FPKDXINYYYXLNQ-HSZRJFAPSA-N 491.632 3.572 10 10 JHCE Cc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873425497 BHMIDHIVRXZARB-UHFFFAOYSA-N 484.600 3.927 10 10 JHCE Nc1c(I)nn(Cc2cccc(C(F)(F)F)c2O)c1C(F)(F)F 2079175453 LOCXTLPNLMKYGC-UHFFFAOYSA-N 451.108 3.861 10 10 JHCE COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C 2297341443 ISBIWNOZODGWKT-UHFFFAOYSA-N 452.363 3.889 10 10 JHCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 2314759928 ANHUCKXLTLXVMM-AWEZNQCLSA-N 475.345 3.799 10 10 JHCE CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(OC(=O)c5ccco5)cc4)C(=O)N=C3S2)CC1 15936638 JQSUJZXKACAIQB-PEHQALCWSA-N 463.519 3.807 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 54454467 WMJYNYYEIVDKKY-IBGZPJMESA-N 479.986 3.924 10 10 JHCE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2C(=O)CSC2=O)cc1 72413189 NFVGMKPSLBHOAN-IBGZPJMESA-N 456.955 3.779 10 10 JHCE CCOC(=O)c1c(N/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)sc2c1CCCC2 103748750 RQSWPHQVVDXLRY-PTNGSMBKSA-N 473.551 3.686 10 10 JHCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2nc(CC(=O)O)cs2)C1=O 210495621 DILWJDUHOWDRIO-GKGYDKMQSA-N 459.574 3.556 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](c3ccccc3)c3ccccc3OC)CC2)cc1 731045718 CLKABDGXABLPOC-MHZLTWQESA-N 474.605 3.915 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864013987 KQHWWSYYNROTLT-HXUWFJFHSA-N 454.571 3.800 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864021868 HOKDFQFJXQBNBN-QGZVFWFLSA-N 488.466 3.652 10 10 JHCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N(C)CCc2cnc[nH]2)n1 1868254289 KLGTWZHMHIGKCP-UHFFFAOYSA-N 482.544 3.587 10 10 JHCE Cc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079046645 CFBLINISRIVOKU-ZDUSSCGKSA-N 451.230 3.979 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(N2CCCC2)c(F)c1 2294106435 UMENBRUNXFZFRX-UHFFFAOYSA-N 458.287 3.855 10 10 JHCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1cccc(C)c1 2297306615 CMMIKWBOJCUOBN-UHFFFAOYSA-N 488.540 3.939 10 10 JHCE Cc1ccc(CN(C)C(=O)[C@H]2CSCCN2C(=O)OC(C)(C)C)c(O)c1Br 2380761813 JHKCKOCTGOKHFV-CQSZACIVSA-N 459.406 3.774 10 10 JHCE CCN1C(=O)/C(=C2/SC(=S)N(CC(=O)OCC(C)C)C2=O)c2cc(Br)ccc21 33327032 JFJMIPITYVLVDZ-FOCLMDBBSA-N 483.409 3.586 10 10 JHCE CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cc(OC)ccc1OC 586250049 USXMUZVHYUSPJO-UHFFFAOYSA-N 451.500 3.694 10 10 JHCE O=C(O)CCCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586617754 STTOMEDZBCVGNR-UHFFFAOYSA-N 471.469 3.701 10 10 JHCE COc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)n2)cc1OC 748993166 XZOCGCGVDXABKO-UHFFFAOYSA-N 473.576 3.927 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)CCCN3C)C1 1705965059 NEAPPLCKLYHOEZ-NRFANRHFSA-N 452.647 3.602 10 10 JHCE COc1ccc(OCCN2C(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 1858586681 GSLDPKVZDQAEDO-GZTJUZNOSA-N 462.505 3.598 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3F)CC2)cc1 1862116377 HOHWGTMWUDWYKA-VWLOTQADSA-N 461.537 3.524 10 10 JHCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035645 YNGSEEYBJISUQU-OAQYLSRUSA-N 494.979 3.875 10 10 JHCE CCOCCCN=c1nc(Nc2ccc(Cl)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871522173 HMRKUEAHFZJAMK-UHFFFAOYSA-N 498.031 3.864 10 10 JHCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873166446 QDFWZKZHDRPVOB-UHFFFAOYSA-N 486.616 3.924 10 10 JHCE CCOC(=O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccc(C)cc3)c3ccccc32)SC1=S 1914743 WPAKEEAAPLTMFE-FMQUCBEESA-N 452.557 3.676 10 10 JHCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1Cl 2239507 KQISZPHLXTZNMY-LFIBNONCSA-N 466.833 3.973 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781523 CTLLWJMZUXFYHS-YVLHZVERSA-N 454.552 3.975 10 10 JHCE CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc1 108625692 JTZCIKZFPZJWIU-UHFFFAOYSA-N 476.602 3.990 10 10 JHCE CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1 208526387 OGCAWZSRTUQJLS-DEDYPNTBSA-N 485.363 3.693 10 10 JHCE CC(=O)N1CCN(CCn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CC(C)(C)C)CC1 1301764320 NNHHUBMNNSEEBP-UHFFFAOYSA-N 491.684 3.999 10 10 JHCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)CN1CCOCC1 1705478780 FXMLUGDZTIPYHF-RTWAWAEBSA-N 460.626 3.779 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccn1)[C@@H]2c1ccc(O)c(O)c1 1864016596 TZHCQWVKFBRQBK-JOCHJYFZSA-N 497.555 3.777 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865035545 WNXZDLFEXHWLHX-OAQYLSRUSA-N 480.540 3.607 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871482528 BXOIFWFXBQLUFL-UHFFFAOYSA-N 481.604 3.715 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 1873165135 DFJQMECTZBMGMV-UHFFFAOYSA-N 474.580 3.707 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc1C2=O 1873866277 FXMZEBFIVLMMBJ-ORAYPTAESA-N 463.486 3.621 10 10 JHCE COc1cccc([C@@H]2[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)c1OC 1874016552 GFNSOXKDRXPPMN-NTKDMRAZSA-N 484.508 3.637 10 10 JHCE COCCCCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200967585 APEABSFLNZORJU-NRFANRHFSA-N 472.582 3.989 10 10 JHCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2cccn2-c2ccc(C(=O)O)cc2)C(=O)NC1=S 2293783260 UXTXMLWBDGDEKF-UHFFFAOYSA-N 465.918 3.969 10 10 JHCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c1 14472283 OAWOGTXRYQBUQW-YPIYEQTHSA-N 455.536 3.879 10 10 JHCE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990314 JMVKGDIWOABHOK-JPVKTXQWSA-N 474.652 3.665 10 10 JHCE CCOc1cc(C=O)ccc1OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)Cc1ccco1 40320254 AJHYOELBSIUSHE-QHCPKHFHSA-N 452.551 3.999 10 10 JHCE O=C(C1=CN(c2ccc(I)cc2)c2ccccc2S1(=O)=O)N1CCCC1 49003785 LELFDCNVBBORKZ-UHFFFAOYSA-N 480.327 3.680 10 10 JHCE Cc1cccc(COc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 96460065 PISNCJPIXHSEHN-MRDWGVERSA-N 488.978 3.849 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(Cn2cnnc2)cc1 205945781 KBYZYVOCAXLWFK-PXLXIMEGSA-N 487.545 3.588 10 10 JHCE CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c1O 1459577403 IHYNOEKAEXLLBE-UHFFFAOYSA-N 458.002 3.708 10 10 JHCE CC(=O)N1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCSc2nccs2)CC1 1690827669 OCOMOFGJXSLKGJ-UHFFFAOYSA-N 490.630 3.694 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865030165 DSMDYFWOLQBDOY-QFIPXVFZSA-N 491.592 3.974 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCOC[C@@H]4C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869277795 OMMNJRMDYKYUKC-IBGZPJMESA-N 463.557 3.843 10 10 JHCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873170295 URGUJHHFVVBZKK-UHFFFAOYSA-N 453.583 3.615 10 10 JHCE CC(C)N1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2040498462 KNIMDAQOTCVYIZ-UHFFFAOYSA-N 491.642 3.631 10 10 JHCE CCOc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O 2293034957 VHHDCILMCSUBKJ-UHFFFAOYSA-N 467.572 3.995 10 10 JHCE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 2294095521 VHFMZSNUXXPYBE-UHFFFAOYSA-N 481.263 3.741 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)NCCc3ccccc3)C2=O)cc(OC)c1OC 2296881760 ZJKHIXOUQVORBX-UHFFFAOYSA-N 486.615 3.663 10 10 JHCE C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2Cl)C1=O)C(=O)O 2314932171 SZVZXFPLXJOSEA-NSHDSACASA-N 462.936 3.738 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 15047169 XYFOZFOUHICQAC-FDIDITGRSA-N 456.545 3.797 10 10 JHCE CN(C)c1ccc(CNC(=O)c2cccc(Cn3c(=O)c4cccn4c4cccnc43)c2)cc1 33018580 YFZCYLQRHMWDSI-UHFFFAOYSA-N 451.530 3.694 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)CC2)cc1 109604107 YEBJEOPHFFZBBD-UHFFFAOYSA-N 450.507 3.736 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)N3CCC(N4c5ccccc5C[C@H]4C)CC3)CC2)cc1 728740749 GPQZVLCKJSULDS-HSZRJFAPSA-N 491.680 3.833 10 10 JHCE O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 731400422 CZIPKASUWHEQRD-OAQYLSRUSA-N 475.636 3.514 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N3CCC(=Cc4cccc(F)c4)CC3)CC2)cc1 742939425 DSCUPEWAHHZFKO-UHFFFAOYSA-N 452.574 3.845 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)c2C)C1=O 1670792522 QFSSWSJSISQQCE-KRWDZBQOSA-N 451.571 3.911 10 10 JHCE C#C[C@]1(C)CCCN1c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)NCC(F)F 1705669314 IYYBOYIWJABDEF-RUZDIDTESA-N 466.536 3.726 10 10 JHCE CC[C@H](NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862107029 INJZPNVGFNQSEG-QFIPXVFZSA-N 477.609 3.627 10 10 JHCE CC[C@](C)(NC(=O)COc1c(C)ccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862201285 ZMTZYJVBXVLWRT-MHZLTWQESA-N 467.610 3.633 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@H]2c1ccc(O)c(O)c1 1864009265 DCPWDCOTDPXQEJ-QFIPXVFZSA-N 492.576 3.811 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccco1 1865318987 INJHFTHJHGOEFC-QHCPKHFHSA-N 491.592 3.501 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(N(C)C)ccc3[nH]2)N2CCCCC2)cc1 1866504184 IULDQGLMHZKSNO-RUZDIDTESA-N 461.610 3.617 10 10 JHCE Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n[nH]1 1866827684 INXSPYVENWTEEQ-QFIPXVFZSA-N 496.498 3.612 10 10 JHCE CC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868837211 BYYXACPUZHJAGL-HTAPYJJXSA-N 488.426 3.805 10 10 JHCE CC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868837213 BYYXACPUZHJAGL-VGOFRKELSA-N 488.426 3.805 10 10 JHCE O=C1C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2296073657 RQMOQQNXOQFKBS-IBGZPJMESA-N 492.626 3.984 10 10 JHCE CC(C)CN1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 2296724080 HFEPMICVGZUXJT-UHFFFAOYSA-N 494.598 3.893 10 10 JHCE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4ccc(Br)cc4)C3=O)o2)cc1 2297309363 WMFHBXBFXNKUPC-UHFFFAOYSA-N 467.275 3.957 10 10 JHCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 2297347703 VDYSNUYDUFFPPE-UHFFFAOYSA-N 463.490 3.920 10 10 JHCE CC(=O)N[C@H](CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)c1ccccc1 9285850 NLOVXYBEOJYDLY-JOCHJYFZSA-N 462.502 3.816 10 10 JHCE Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1-c1ccccc1F 25346212 WNFIOBFJCZLUFK-UHFFFAOYSA-N 455.555 3.521 10 10 JHCE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)Cc1ccccc1O 1705896778 XVEQWMHJSIMBKJ-INIZCTEOSA-N 451.596 3.776 10 10 JHCE CCCC[C@H](NC(=O)COc1cccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862192612 JKDNGORGGPEXNU-DEOSSOPVSA-N 467.610 3.715 10 10 JHCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)c1 1864015760 FCRBOWNQWZPWFS-JOCHJYFZSA-N 482.540 3.818 10 10 JHCE COc1cc(OC)c2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(O)c2c1 1866551083 MTBGSAWLVNDHDY-UHFFFAOYSA-N 454.438 3.985 10 10 JHCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871685302 DQIIYMPTQOJZRQ-UHFFFAOYSA-N 483.567 3.675 10 10 JHCE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2040498801 PUQIVEFDNOPDFL-UHFFFAOYSA-N 484.603 3.836 10 10 JHCE COC(=O)c1c(C)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079957038 MHWJUFKDAOQCNV-OAHLLOKOSA-N 456.280 3.686 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1F 2294216822 CYBKLMMDRSSTKE-UHFFFAOYSA-N 493.354 3.822 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)cc1 2294279923 GXJCWQGXKHNKTN-UHFFFAOYSA-N 475.526 3.632 10 10 JHCE Cc1cccc(Cn2cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1 2297345012 HCWJNZLHXZXPJY-UHFFFAOYSA-N 477.571 3.619 10 10 JHCE CC(C)CN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2297467650 WPJCUJSJIUFXSO-GOSISDBHSA-N 480.615 3.697 10 10 JHCE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](CCSC)C(=O)O)C1=O)C(C)=O 2314928262 SBGSVXVJKBXNNY-CABCVRRESA-N 453.607 3.841 10 10 JHCE COc1ccc(C2=NN(c3ccccn3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141490 YBNQQGHTQMSNHV-UHFFFAOYSA-N 458.430 3.604 10 10 JHCE Cc1ccc(Cn2cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)cc1 20207692 WYLFYZIBOAXVDH-KKVJOTPGSA-N 477.571 3.619 10 10 JHCE CN(C)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3 20322488 DPCFMAWROBKBTG-UHFFFAOYSA-N 462.550 3.746 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)NCc3ccc(OC)c(OC)c3)c3ccco3)CC2)cc1 38620138 DGNRBLKLQKYYLZ-HSZRJFAPSA-N 494.592 3.668 10 10 JHCE Cc1cc(C)c2c(CC(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)coc2c1 39883671 VVXWLGUCLKRAAS-QFIPXVFZSA-N 454.592 3.874 10 10 JHCE COC(=O)c1ccccc1NCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S 59382233 CEHXTXSIFPMYEC-WOJGMQOQSA-N 474.560 3.770 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694732 MHGMPKJQDGFTDI-UHFFFAOYSA-N 473.545 3.562 10 10 JHCE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 248016819 DJJLQZXWWBPJPP-MGQBIDJDSA-N 483.568 3.577 10 10 JHCE Cc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526315358 LMDNDVNGUCFMGB-HSZRJFAPSA-N 463.559 3.766 10 10 JHCE C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)cc2F)C[C@@H](C)O1 918286347 HCXXXVFYWVUSEN-KDURUIRLSA-N 468.573 3.685 10 10 JHCE CC(=O)N1CCN(CCn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCC(C)C)CC1 1741056446 LBQWGXYGCOHNNZ-UHFFFAOYSA-N 491.684 3.999 10 10 JHCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)c1 1864015761 FCRBOWNQWZPWFS-QFIPXVFZSA-N 482.540 3.818 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865030286 HIPUTDJTJGOOND-OPAMFIHVSA-N 489.576 3.727 10 10 JHCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865032480 CZVIVAHQXMCKRN-HSZRJFAPSA-N 488.588 3.839 10 10 JHCE Cn1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1NC(=O)Cc1ccccc1 1871333156 IMLAMXXNNMXXEH-UHFFFAOYSA-N 464.481 3.629 10 10 JHCE COC(=O)c1c(C2(C)CC2)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2080043259 RPOWFAHDGFLBLN-JTQLQIEISA-N 456.280 3.649 10 10 JHCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1 2201092455 WIQADPQRQRWVOA-JSGCOSHPSA-N 463.756 3.750 10 10 JHCE CCOc1c(Br)cc(C=C2C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1OC 2297327415 AIQHXBNGBYNMFF-UHFFFAOYSA-N 451.704 3.971 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Br)s1 2313559854 YKRSLFJYESKETQ-UHFFFAOYSA-N 456.115 3.940 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1O[C@H](CC)C(=O)O 2314936130 VNTRZNATIPGRGT-OAHLLOKOSA-N 490.559 3.775 10 10 JHCE CN(C)c1ccc(CN[C@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]23CCC(=O)N2CCOCC2)cc1 12490863 WQXZYDOAQZNPFM-LSGCGUROSA-N 471.686 3.817 10 10 JHCE biogenic CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 15037960 FYAVZKAEMJDYOD-AQTBWJFISA-N 456.545 3.799 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC(C)C)nc12 33934883 YQPJRDOZYCHUDY-VXLYETTFSA-N 494.598 3.953 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)Cc3ccc(-n4c(C)cc(C=O)c4C)cc3)c2)CC1 1556219348 ZVAULJHAXFZNGI-UHFFFAOYSA-N 458.562 3.756 10 10 JHCE CCN1CCC[C@@H]1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860344799 GVDBHRKNNVPQLC-NGOKVRLYSA-N 485.632 3.779 10 10 JHCE CCOc1ccc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 1860714139 NSPAYTFRFRFXJL-UHFFFAOYSA-N 458.514 3.988 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2nccn2C)cc1 1865861442 AKKPWQSGJPORKZ-DHIUTWEWSA-N 477.609 3.828 10 10 JHCE CSCC[C@H](NC(=O)c1cc(C2CC2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867149409 SZYKJIMOTMNMTM-IBGZPJMESA-N 488.569 3.553 10 10 JHCE CCCC[C@@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869035176 BAGNZJLXUSEREI-CJFMBICVSA-N 477.605 3.779 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3cccnc3)CC2)cc1 1870435712 SAWCDSMTIVVKPX-UHFFFAOYSA-N 462.594 3.657 10 10 JHCE CC(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)cc1 1871279478 YMPYZSQRLHMTMB-KRWDZBQOSA-N 452.466 3.656 10 10 JHCE CCN1C(=O)C(NCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169148 BQDMOTWVIOXCTC-UHFFFAOYSA-N 453.546 3.903 10 10 JHCE COc1ccccc1CCN1C[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1874179061 KZYPJNKGOIBKPV-GOSISDBHSA-N 468.509 3.500 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2314832067 YXGWRYYPLMIRGY-UHFFFAOYSA-N 489.644 3.734 10 10 JHCE Cc1ccc(CN(C)[C@]2(C(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)c(O)c1Br 2380767658 WXMUCEGQGSJYSU-HTAPYJJXSA-N 477.355 3.807 10 10 JHCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1cc(Cl)ccc1F 10675559 FHRMWEPTXVBKKL-CAOOACKPSA-N 464.927 3.839 10 10 JHCE CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)s1 33417659 XVELPYBBFZLXPE-OQLLNIDSSA-N 476.605 3.695 10 10 JHCE C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)C[C@@H](C)O1 33445247 FFPKOLNBYKHXLA-JWDQFBDLSA-N 492.626 3.710 10 10 JHCE COCCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33511143 CYYLBIMHOLEFFQ-JXAWBTAJSA-N 472.636 3.923 10 10 JHCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 35643732 GWKUCQJBCPKYEM-LROCIMMESA-N 454.529 3.877 10 10 JHCE Cc1ccc(-n2nc(N3CCC[C@H](C(=O)NCc4ccc(N(C)C)cc4)C3)ccc2=O)cc1Cl 64928753 VSIOGCYXXFZXMM-FQEVSTJZSA-N 480.012 3.793 10 10 JHCE COc1ccc(N2CCN(c3nccc(-c4cn(-c5ccc(OC)cc5)nc4C)n3)CC2)cc1 72461950 HYXOQNVCPMQWHT-UHFFFAOYSA-N 456.550 3.982 10 10 JHCE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 800728512 RQNQRNXPVGXGDJ-UHFFFAOYSA-N 498.586 3.853 10 10 JHCE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(NC(=O)COC)CC1 1705510699 WIJAKNJIBNAHBL-UHFFFAOYSA-N 488.636 3.888 10 10 JHCE CC[C@@](C)(NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868785692 WCUIZVYKIPYTLU-MUUNZHRXSA-N 491.636 3.888 10 10 JHCE CCOc1cc(Br)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O 2293441686 FBBTWBGRUZNVTE-UHFFFAOYSA-N 459.296 3.837 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(N3CCN(C)CC3)C2=O)cc1 2314487023 GDGRGTQKOKKNPX-UHFFFAOYSA-N 491.642 3.912 10 10 JHCE CCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1 62694338 VIRCXUSZKRQXEN-UHFFFAOYSA-N 465.619 3.846 10 10 JHCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1 85654626 LRNGUHBDBAKNSZ-UHFFFAOYSA-N 453.546 3.602 10 10 JHCE C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(N2CCOCC2)cc1 109190973 UHQZEVZGWAYRRP-CYFREDJKSA-N 459.546 3.561 10 10 JHCE COc1cc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O 226747400 NFQWQVDEXHJHIU-RNHFSVANSA-N 461.562 3.835 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 248010313 BNUZBSSZUXAWSC-DMDYGQEQSA-N 461.606 3.955 10 10 JHCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526312423 SNGHDFDUFWLZNG-HSZRJFAPSA-N 496.541 3.591 10 10 JHCE O=C(Nc1ccc(C(=O)N2CCCNCC2)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586713414 YQYOODUAUVFDSF-UHFFFAOYSA-N 468.513 3.542 10 10 JHCE COc1ccc(CO[C@@H]2[C@H](COC(C)=O)O[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@@H]2OCc2ccccc2)cc1 616589472 NOLUREWJMGQUDD-GIDFYXQGSA-N 499.520 3.696 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)cc1 1084032973 YXNJVISTOQXACI-HMMYKYKNSA-N 464.478 3.650 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864020983 JUZUXHZHEIWGIE-KLHJMIIUSA-N 468.598 3.902 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccncc3)n4CC(C)C)CC2)cc1 1873576939 DOAPIJSFBHULCF-UHFFFAOYSA-N 499.619 3.748 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3cc(Br)cc(C(F)(F)F)c3)CC2)cc1 1891834647 INUKTIMNMXROKZ-UHFFFAOYSA-N 479.318 3.987 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1O 2293374326 OMMDNROAKSBPSE-UHFFFAOYSA-N 496.111 3.592 10 10 JHCE COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O 2297560311 OCXXTBYRBDTDBK-UHFFFAOYSA-N 492.384 3.670 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2314831812 SLDNNODRPYSDSA-UHFFFAOYSA-N 480.608 3.621 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1)C(=O)O 2314926996 XDODWDAISKLYNN-QZTJIDSGSA-N 471.556 3.826 10 10 JHCE O=C(O)CCCCCNC(=O)CCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 15040530 CPCHHLZCUGFLEL-AQTBWJFISA-N 459.593 3.911 10 10 JHCE O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 22566797 YVUMVGFQEZLHSM-HKBOAZHASA-N 459.404 3.660 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(OC)c(OC)c4)n3)CC2)cc1 33309920 WXRJFHXNGQZXRZ-UHFFFAOYSA-N 495.605 3.560 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3c(C)cccc3C)c3ccco3)CC2)cc1 38619615 QDJRGRKVXBCXTM-HSZRJFAPSA-N 476.577 3.523 10 10 JHCE CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 40940428 NJRCWOUZJAWUPT-NXVVXOECSA-N 488.388 3.732 10 10 JHCE O=C1/C(=C/N2CCOCC2)SC(=S)N1c1cc(Br)cc(Br)c1 59397218 ATDUIPOJPROQGU-WQLSENKSSA-N 464.204 3.750 10 10 JHCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)cc1 170548753 ZTFMQLAAJONSDI-UHFFFAOYSA-N 459.593 3.842 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)cs2)cc1OC 170549584 VUDWQIBTFZYZTH-UHFFFAOYSA-N 473.576 3.882 10 10 JHCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526353116 FUMYOGVILUIMDK-HSZRJFAPSA-N 477.469 3.959 10 10 JHCE COc1cc(C(=O)NCC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ccc1OC(F)F 746425093 GFSMAPOTDTXDBA-UHFFFAOYSA-N 471.504 3.793 10 10 JHCE O=C1/C(=C/c2ccc(-c3cc(F)c(F)c(F)c3)o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1614374615 GNCKCIACXDBLBD-VNCYPQDWSA-N 459.492 3.752 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc5nc(O)oc5c4)n4ccccc34)CC2)cc1 1858351503 YVECNNHRKXGYPK-UHFFFAOYSA-N 469.501 3.819 10 10 JHCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1ccc(N2CCOCC2)cc1 1860715146 OAZQRXWQAHTRHE-UHFFFAOYSA-N 468.779 3.763 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)COc3ccc(C)c(C)c3)c3ccccc3)CC2)cc1 1862195425 RLKFAHPIFHYRMM-MUUNZHRXSA-N 487.600 3.897 10 10 JHCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864008808 SLVWUDAIYYWPEC-ABFDGULESA-N 478.593 3.555 10 10 JHCE COc1ccc(-n2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)cc1 1866285476 XPPDYNZRUTZVMV-RUZDIDTESA-N 489.620 3.573 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cnc4c(c3)c(C)nn4-c3ccc(OC)cc3)CC2)cc1 1866396294 HACDFIMZIUCXPU-UHFFFAOYSA-N 457.534 3.709 10 10 JHCE COc1ccc(C)c2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866507919 OOMPNINBRKNDSK-JOCHJYFZSA-N 462.594 3.868 10 10 JHCE CC[C@@](C)(NC(=O)c1n[nH]c2c1CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866853953 XKURRVIYCQEOBB-HHHXNRCGSA-N 470.529 3.601 10 10 JHCE CC[C@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866958132 XZAUGQGJMLSHCM-JTSKRJEESA-N 490.943 3.725 10 10 JHCE COc1cccc(OC)c1C(=O)NC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867363685 WRLORSOYNCUOKR-JOCHJYFZSA-N 496.652 3.622 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccc(O)cc4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871477088 UBCFOVWMKXGMLT-UHFFFAOYSA-N 497.603 3.998 10 10 JHCE CCc1nnc(NC(=O)CCCN2C(=O)C(=Cc3ccc(C(=O)OC)cc3)SC2=S)s1 2297349299 CLCNRICSUOAXHT-UHFFFAOYSA-N 476.605 3.507 10 10 JHCE CCCC[C@@H](NC(=O)C=Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330513279 MJBNAUUFJFXFJL-XMMPIXPASA-N 493.604 3.503 10 10 JHCE Cc1ccc(CN(C)C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(F)F)c(O)c1Br 2380787743 VULNMGMAGUYLJB-SFHVURJKSA-N 451.308 3.970 10 10 JHCE C[C@@H](C(=O)NCC(=O)O)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15047823 NLAJCYXFIKDJDJ-JFENUBAZSA-N 450.541 3.784 10 10 JHCE CCCNc1cc(N2CCC(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)ncn1 65274220 RPSHVBNGHSYKFB-UHFFFAOYSA-N 466.630 3.653 10 10 JHCE CCN1C(=c2sc(=C3SC(=S)N(C4CCCCC4)C3=O)n(CC)c2=O)C=Cc2ccccc21 254764911 ZGHULPYIPMPTDH-UHFFFAOYSA-N 497.711 3.892 10 10 JHCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526624476 DMDVXRFTWSMROR-VWLOTQADSA-N 491.496 3.888 10 10 JHCE CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)C(=O)N(c2ccccc2)C1=O 1084611882 SGVCIPHCVWUSMV-ATVHPVEESA-N 462.374 3.772 10 10 JHCE CC(=O)c1cc(F)cc(CN2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1O 1307977939 ZKYFTPILVWKLRW-HXUWFJFHSA-N 450.551 3.972 10 10 JHCE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCSc1nccs1 1705474292 GGKLAEIIKKKHTQ-HNNXBMFYSA-N 475.043 3.958 10 10 JHCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 1857997784 KSJQWGRLLUXOKB-UHFFFAOYSA-N 486.481 3.555 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccccc3OCC(C)C)CC2)cc1 1862055469 JDVRWVLDDIUJQH-XMMPIXPASA-N 499.677 3.930 10 10 JHCE CC[C@](C)(NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862076606 FCQGDHDYRDTPIV-MHZLTWQESA-N 475.593 3.503 10 10 JHCE COC(=O)c1c(NC(=O)[C@H](N)Cc2cnc[nH]2)sc(C)c1-c1ccc(Br)cc1 1866031645 OALBKBWPYUTRRB-CQSZACIVSA-N 463.357 3.504 10 10 JHCE COc1ccc(Cl)c2c(=O)cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)[nH]c12 1866535661 QGJRQAYXEZZZKJ-OAQYLSRUSA-N 465.941 3.509 10 10 JHCE C[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867392758 MCGBYGKAGIILHK-MBSDFSHPSA-N 457.018 3.868 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1 1868832653 AXBMKMVXBNDIGC-KRWDZBQOSA-N 488.426 3.805 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccc5ccccc45)C3)CC2)cc1 1871335799 BZBKRRWFLSANDK-QFIPXVFZSA-N 493.629 3.598 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873166864 ZHOZHGFRNCIIQD-HSZRJFAPSA-N 456.546 3.538 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc(N(C)C)c3)cc1C2=O 1873895092 HZVSHPCXIPEMQJ-UHFFFAOYSA-N 486.480 3.631 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1 2294094860 ATIGYGFXQQREGY-UHFFFAOYSA-N 466.833 3.973 10 10 JHCE COC(=O)c1ccccc1N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2314539463 SVULPNAMZCKYSY-UHFFFAOYSA-N 475.345 3.964 10 10 JHCE COc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@H](C)C(=O)O 2314931072 BTGGRSSBTBFDKO-LLVKDONJSA-N 459.501 3.682 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C2CCCCC2)C1=O 33436486 PQJYEIHNQSIQHL-SAPNQHFASA-N 458.609 3.677 10 10 JHCE O=C(O)CCCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 33452779 MMEFVYRGMHWDLC-ICFOKQHNSA-N 486.619 3.531 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 39835901 PRACACKAGLYYQE-QGOAFFKASA-N 467.572 3.951 10 10 JHCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cccc(OCC)c1O)N2 65298435 LDKCCGKCGHCEGH-HXUWFJFHSA-N 481.549 3.992 10 10 JHCE biogenic CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=N)N21 96460596 HZLRDPMOOFHFGM-FCASDSMHSA-N 493.973 3.898 10 10 JHCE CCOC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2CC(=O)OC)cc1 205947076 KCCWJQFFFCXZTD-PXLXIMEGSA-N 451.479 3.524 10 10 JHCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cc2)cc1 210607843 BATQYYKZFBXKNO-WCRDSDDBSA-N 469.540 3.990 10 10 JHCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@@H]3C=CC[C@@H]32)cc1 226857170 ZJZKINFWWXQZQX-SLSDLSHTSA-N 453.608 3.848 10 10 JHCE CC(=O)[C@H]1CC(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)=NN1c1ccccc1 1126657642 LAHUZVDBPZKGNH-HTAPYJJXSA-N 456.493 3.597 10 10 JHCE Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)NCCc3ccc(O)c(O)c3)ccc12 1860254694 FJOQAMOZMGDFCE-UHFFFAOYSA-N 459.498 3.841 10 10 JHCE CC[C@@H](C)[C@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC)C(=O)O 1860760866 GCGOVKPRVAPIMH-ZMZPIMSZSA-N 460.552 3.681 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008586 NIRNYYOGIZIXQK-HSZRJFAPSA-N 486.528 3.563 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016261 KTIMIGHWLCVJHG-QFIPXVFZSA-N 482.540 3.552 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3Cc3ccco3)CC2)cc1 1870548521 HERUPRIASOIOIN-UHFFFAOYSA-N 481.593 3.624 10 10 JHCE CCOc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 2313557943 PMOMJKPPKLTTON-UHFFFAOYSA-N 463.259 3.662 10 10 JHCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323808748 USTBHAUJZGMUOI-LLVKDONJSA-N 450.376 3.996 10 10 JHCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)c3ccc(Cl)cc3)c3ccccc32)SC1=S 2326945122 PBBHUUKPGSJGKR-UHFFFAOYSA-N 486.958 3.616 10 10 JHCE CN(C)c1ccc(CNC(=O)CCn2ccc3cc(S(=O)(=O)N4CCCCCC4)ccc32)cc1 15722416 AIHYCECNESKBOR-UHFFFAOYSA-N 482.650 3.979 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)cc1 33011761 MQBIOSBGBGAXRI-UHFFFAOYSA-N 483.619 3.548 10 10 JHCE COc1ccc(N2CCN(c3ccc(NC(=O)COc4ccccc4)c(C(=O)O)c3)CC2)cc1 64590335 WQCFJAARJNPAFC-UHFFFAOYSA-N 461.518 3.738 10 10 JHCE CC(=O)c1cc(F)cc(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)c1O 1192090799 JHFNCLIYDWHXHB-UHFFFAOYSA-N 450.308 3.742 10 10 JHCE COC(=O)CCCOc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858863434 QBQPVPPZMSWQEV-UHFFFAOYSA-N 459.458 3.833 10 10 JHCE CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862206125 ULLPRVHVSUDRRJ-YKSBVNFPSA-N 467.610 3.830 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867963868 JOANMEXXFONDGL-JOCHJYFZSA-N 473.621 3.996 10 10 JHCE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Br)c(O)c(Br)c1 2297328235 YCFBJQFVJAUWAM-UHFFFAOYSA-N 482.153 3.749 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC 2313548712 CNNKJCYEVJICHT-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)cc1OC)C(=O)O 2314930929 BBLPAGPEOPGBOE-HNNXBMFYSA-N 478.592 3.750 10 10 JHCE O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1CCS(=O)(=O)O 8821462 VSLHPZMCBDOBRZ-NTEUORMPSA-N 474.379 3.798 10 10 JHCE O=C1c2cccc(I)c2C(=O)c2cccc(I)c21 13304164 FLFAOOZAOSEZEB-UHFFFAOYSA-N 460.008 3.671 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 20208113 KUPODZSKSJDRLS-RKQIHDTFSA-N 479.946 3.508 10 10 JHCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCCO)nc3c(C)cccn3c2=O)SC1=S 33492870 ISVRNAXCNLBNNL-CQUHBBLWSA-N 474.652 3.825 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 34798620 QRDVMMUNUROOEL-XMHGGMMESA-N 480.615 3.853 10 10 JHCE COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc([N+](=O)[O-])c1O 101550011 AJEJBTPOGGYYCO-GZTJUZNOSA-N 498.542 3.513 10 10 JHCE CC(=O)N[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 770287170 UTHUENWDOCAWQJ-FYSMJZIKSA-N 484.508 3.600 10 10 JHCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1O 1083939912 NRULIUQAIROKII-ZSOIEALJSA-N 459.296 3.837 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864011997 OQXVLOODNGRLTJ-LRTDBIEQSA-N 482.968 3.914 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864022857 ZEDNJVGMPBTVBH-QFIPXVFZSA-N 476.577 3.710 10 10 JHCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccccc3)C2)n1 1869115505 YEBVMTRTHONZSD-RUZDIDTESA-N 489.620 3.579 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873162190 JREJBFJNKPDALA-UHFFFAOYSA-N 474.580 3.707 10 10 JHCE CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873649979 FVYMUEFNDYSDLK-UHFFFAOYSA-N 496.575 3.915 10 10 JHCE CO[C@@H](Cc1ccc(O)c(O)c1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952306668 OXRFJROGXZCCRO-BJKOFHAPSA-N 463.486 3.647 10 10 JHCE CC[C@@H](Oc1cccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1)C(=O)O 2314926831 TXUPYWAABFFTBW-QZTJIDSGSA-N 471.556 3.826 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1OCCC(=O)O 16919741 QFEIWKFENVEOSJ-LDADJPATSA-N 490.534 3.624 10 10 JHCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 33481355 ARWZUFNEAODBGE-DTQAZKPQSA-N 474.608 3.671 10 10 JHCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33511159 NGSODXDFMZRWNQ-HRVJUDJTSA-N 492.626 3.995 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 62694807 QKSTUXVGXCCLKU-UHFFFAOYSA-N 497.636 3.996 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)nc(C)c(=O)n4Cc3ccccc3)CC2)cc1 64859323 AEPOJOHOISLLQZ-UHFFFAOYSA-N 468.557 3.724 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Cc3csc(-c4ccc(C)cc4)n3)CC2)cc1 742927087 HRPDHBLDQXHAQS-UHFFFAOYSA-N 450.608 3.608 10 10 JHCE COC(=O)[C@H]1CC[C@H](CNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1 1860345105 UDYCOYNZOWUDOI-WGSAOQKQSA-N 498.583 3.670 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)sc(C)c1-c1ccc(C)cc1 1860750225 IZAHOOWVTAIRMG-UHFFFAOYSA-N 493.541 3.751 10 10 JHCE CCC[C@@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862041212 FKGZKBMWBYKXFV-OAQYLSRUSA-N 474.399 3.705 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008047 ASZMVHFAHWPKNA-HXUWFJFHSA-N 468.941 3.856 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294134102 SQUODJLRYQHEDO-UHFFFAOYSA-N 490.443 3.778 10 10 JHCE O=C(O)CCN1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842137 BDENCNGADQTPEG-UHFFFAOYSA-N 460.508 3.519 10 10 JHCE CCOC(=O)[C@H]1CCCN(c2cc(NCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)C1 4128390 YGRUYJMHAMMXRP-AWEZNQCLSA-N 463.490 3.705 10 10 JHCE Cc1ccc([C@@H](CNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)N2CCOCC2)o1 106009147 OTASXBQIANNSPW-JOCHJYFZSA-N 465.550 3.570 10 10 JHCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526314242 WWANOQOZLGIRHR-DEOSSOPVSA-N 493.585 3.856 10 10 JHCE COCCCNC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699075 LPQKBWZXEZHEBR-UHFFFAOYSA-N 457.486 3.872 10 10 JHCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(OCC)c(OC)c3)C2=O)c1 1084401262 LMAIYJJGUPBJEP-ATVHPVEESA-N 454.479 3.558 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)cc4oc(=O)c(C)c(C)c34)CC2)cc1 1860275370 BUIOHSUFCOEOMP-LJQANCHMSA-N 450.535 3.843 10 10 JHCE COc1ccc(/C=C/C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1861937082 YRDITZPUDVIWDM-HWGVJAQFSA-N 485.584 3.923 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864016659 UXQADUSCOUBCJK-HXUWFJFHSA-N 460.534 3.735 10 10 JHCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030172 DYFGLFJBGUJCLW-JOCHJYFZSA-N 494.567 3.997 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873164132 NQDIXWQYIIFPMD-UHFFFAOYSA-N 463.541 3.954 10 10 JHCE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)=C[C@@H]1O 2201002220 CVBRGRFJNRFKLS-XLIONFOSSA-N 473.570 3.749 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1OC 2296881592 QAUDRXWWNARMBA-UHFFFAOYSA-N 489.531 3.548 10 10 JHCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3cccc(OC(=O)c4cccs4)c3)C2=O)cc1 2297311046 SWAFQXJUTFNVOU-UHFFFAOYSA-N 462.483 3.605 10 10 JHCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=CNCc2ccc3c(c2)OCO3)cc1 2297349223 ADRFEHZESMLGLT-UHFFFAOYSA-N 472.457 3.757 10 10 JHCE Cc1ccc(NC(=O)COc2ccccc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1 2314842300 NIEBVNXWKSADPZ-UHFFFAOYSA-N 456.545 3.688 10 10 JHCE CCOc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCC(=O)N4C)C2=O)ccc1OC 2321736744 WTEAADIBCDSTLQ-UHFFFAOYSA-N 456.545 3.855 10 10 JHCE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 8704889 PBHIEQWXXSYADZ-JOCHJYFZSA-N 454.596 3.539 10 10 JHCE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 33474834 DOSLBEIRTWHCSF-AQRZYSDFSA-N 494.642 3.847 10 10 JHCE Cc1cc(C(=O)COc2ccc(F)cc2Br)c(C)n1-c1ccc(S(N)(=O)=O)cc1 36852412 WRHVGWPRONQPCO-UHFFFAOYSA-N 481.343 3.905 10 10 JHCE Cc1cc(C(=O)N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 110410654 GBBCROBALKMHQK-BGYRXZFFSA-N 467.610 3.827 10 10 JHCE O=C(CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1C(=O)O 210496073 LMXAYDROQDJFBY-VIZOYTHASA-N 480.470 3.532 10 10 JHCE CN(C)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526312950 NAMPBWWJFHHQEW-QFIPXVFZSA-N 467.522 3.596 10 10 JHCE Cc1occc1C(=O)NC1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 727476481 WUZXALJEMZOVMS-UHFFFAOYSA-N 494.514 3.547 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(-c4cc(OC)cc(OC)c4)n4ccccc34)CC2)cc1 1858337167 YWRSFAHQPYWLRC-UHFFFAOYSA-N 472.545 3.990 10 10 JHCE CCCC[C@H](NC(=O)Cc1cc(OC)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861898551 SPWJFVMPPZBFEG-DEOSSOPVSA-N 488.028 3.924 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 1862200237 RFQLYBDOCQABMK-OAQYLSRUSA-N 492.403 3.721 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864014592 YZVZLROSOBSOFR-NRFANRHFSA-N 480.540 3.807 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015650 UMXYTDBXYWNAGJ-KRWDZBQOSA-N 488.466 3.501 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865034660 BJXJBBMSIPQHAF-QRWLVFNGSA-N 454.571 3.608 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCCn3ccnc3)CC2)cc1 1870438346 KZOGFLXGXHIIJM-UHFFFAOYSA-N 479.625 3.501 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871602090 ARIICTIESAJAHO-UHFFFAOYSA-N 485.592 3.616 10 10 JHCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873167629 QCYVLCZGGBPBHR-UHFFFAOYSA-N 493.696 3.837 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc(I)c1O 2810622 BVCZQKFHKHPJCJ-UXBLZVDNSA-N 482.205 3.651 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 15047212 SWCBJJYRZYQNGW-OTWJJXBCSA-N 472.544 3.718 10 10 JHCE Nc1c(OCCOc2ccccc2Br)cc(O)c2c1C(=O)c1ccccc1C2=O 31494593 VEWQTMPECVHJAI-UHFFFAOYSA-N 454.276 3.970 10 10 JHCE COC(=O)c1ccc(C(=O)OC)c(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C)c1 101615754 NQOWHUDMIKHMAR-XDHOZWIPSA-N 464.503 3.978 10 10 JHCE CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107982457 ZUBUPIQAIJMSDE-NRFANRHFSA-N 463.500 3.613 10 10 JHCE CCN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4ccc5nc(O)oc5c4)n3)ccc21 1859573750 QRPGECCWDWMBIN-UHFFFAOYSA-N 470.532 3.757 10 10 JHCE CCN(CC)CCNC(=O)c1ccc(NC(=O)CCNCc2ccc(N(CC)CC)cc2)cc1 1860709266 NWRBYPGIMCLWFX-UHFFFAOYSA-N 467.658 3.723 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 1862179914 ARDYQODTPQPFME-QHCPKHFHSA-N 486.012 3.684 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865030966 VZTZGHFYASMVEX-VWKPWSFCSA-N 468.598 3.856 10 10 JHCE CC[C@@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867367209 WVKTUUNBOSAECY-DHIUTWEWSA-N 496.652 3.622 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871600710 REMHVWHYDFNXSY-UHFFFAOYSA-N 485.567 3.545 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873163958 FENPIXCMHAGGON-QHCPKHFHSA-N 456.546 3.538 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(I)o1 2294093738 KFQVORZUUVNZMP-UHFFFAOYSA-N 477.041 3.857 10 10 JHCE CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C1=O 2313631532 PVMORLPRKYLRSY-UHFFFAOYSA-N 452.308 3.934 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H]2CC(=O)N(c3ccc(O)cc3)C2=O)C1=O 2314832509 IGIFIVLHNJXASQ-GOSISDBHSA-N 450.541 3.872 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1O[C@H](C)C(=O)O 2314935535 PWXQBSMBPAEAOY-CYBMUJFWSA-N 478.592 3.750 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1cc([N+](=O)[O-])ccc1O)Nc1ccccc1-3 15834070 JCLFREWUOHYODM-QFIPXVFZSA-N 495.495 3.824 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=N)N21 20206872 ZRKBRRSLDUSSBC-MQIWZSEOSA-N 469.592 3.722 10 10 JHCE Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N 33392964 ZUUKMMYVMKNZPA-XDHOZWIPSA-N 482.656 3.520 10 10 JHCE CCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2cc(Br)ccc21 40939814 RGBRTKOJHZSNSN-NXVVXOECSA-N 488.388 3.732 10 10 JHCE COC(=O)Cn1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c2cc(Br)ccc21 59087178 ITKUMLDFBZUZEB-APSNUPSMSA-N 486.278 3.672 10 10 JHCE CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 102836703 LVMWWGKLPKUCDF-QGOAFFKASA-N 466.588 3.926 10 10 JHCE C[C@H]1Oc2ccc(C(=O)COC(=O)c3ccc4c(c3Cl)C(=O)c3ccccc3C4=O)cc2NC1=O 728085374 GKANQVPYFKOAPE-GFCCVEGCSA-N 489.867 3.875 10 10 JHCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCC(=O)NC(C)(C)C 1705622715 QYKXLIISUIMFPV-UHFFFAOYSA-N 476.625 3.743 10 10 JHCE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1705711060 ZALZOFCDDOJIDM-FQEVSTJZSA-N 474.675 3.575 10 10 JHCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864019331 IVQFQLLFVNYHGS-WNSKOXEYSA-N 488.588 3.845 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4Cl)n(-c4ccccc4)n3)CC2)cc1 1869969983 BWENINLBBNMTEC-UHFFFAOYSA-N 489.967 3.903 10 10 JHCE CCCCOCCCN1C(=O)C(NCCOC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165165 GTKLSEVHYJWPMM-UHFFFAOYSA-N 453.583 3.617 10 10 JHCE COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c1 1874010642 TXUHENLIVGECMV-UHFFFAOYSA-N 482.448 3.540 10 10 JHCE CO[C@H]1Oc2c3c(c(CC=C(C)C)c(O)c2C(=O)[C@]1(O)c1ccc(O)c(O)c1)OC(C)(C)C=C3 2112807300 TUJXJNLMVAEOTM-AZGAKELHSA-N 468.502 3.932 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cccn1-c1ccc(C(=O)O)cc1 2294216950 SQESOAPZUXJITH-UHFFFAOYSA-N 480.274 3.604 10 10 JHCE COCCN1C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)NC1=S 2297560286 LCXQWOZVQGESED-UHFFFAOYSA-N 453.951 3.616 10 10 JHCE O=C(C=Cc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 2321425623 BZPNJIVULDIYDD-UHFFFAOYSA-N 486.549 3.898 10 10 JHCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccccc3OC)ccc21 15962017 QJFSEGAAYOKMKF-UHFFFAOYSA-N 468.667 3.999 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)NCc1cccnc1 84494389 FLMHNTJEOLCOBQ-GZTJUZNOSA-N 463.531 3.981 10 10 JHCE O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)c(Br)o1 1084530393 LOQFBYXXKMPKNA-YVMONPNESA-N 458.037 3.610 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1861922729 MPERPKLSONCORD-FQEVSTJZSA-N 479.524 3.578 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)CC2)cc1 1892201786 ZGALKEGJWINAGW-UHFFFAOYSA-N 491.613 3.799 10 10 JHCE CN(CCN(Cc1ccccc1)S(=O)(=O)CCOc1ccc(N)cc1)Cc1ccccc1 2034744709 BFHATEVSMSTUFP-UHFFFAOYSA-N 453.608 3.612 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCC(C)CC3)nc12 2053493370 VMFCAZGDSABKKA-KRWDZBQOSA-N 484.647 3.619 10 10 JHCE CCOC(=O)c1c(C)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2079971673 KIIICLNVCNDOCO-MRXNPFEDSA-N 458.296 3.932 10 10 JHCE COc1ccc(OCCOc2ccc(OC)cc2C=C2C(=O)NN(c3ccccc3)C2=O)cc1 2293648611 XSYFQPYAAIPMHX-UHFFFAOYSA-N 460.486 3.623 10 10 JHCE N=C1C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352873 PURCZMHLYMICBD-UHFFFAOYSA-N 461.547 3.817 10 10 JHCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S 2314542548 WZMLSZNAJGUGIZ-INIZCTEOSA-N 490.990 3.839 10 10 JHCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)SC1=S 2314767236 FEUPNJHJJSWQOU-KRWDZBQOSA-N 483.527 3.813 10 10 JHCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(OC)c1O 2314842302 NKJRHUSASUMMQA-UHFFFAOYSA-N 464.952 3.903 10 10 JHCE COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1OC 8608569 FSRBGPMOWGPPGS-XMMPIXPASA-N 481.618 3.852 10 10 JHCE C[C@H](NC(=O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S)C(=O)O 15040769 OTWZAEYJTPPDJN-NOMGLIDZSA-N 454.573 3.924 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)Cc3cccc(Cl)c3)c3ccco3)CC2)cc1 38619307 QCSXRGIRDVEZFD-HSZRJFAPSA-N 490.025 3.925 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cccc(C)c3C)c3ccco3)CC2)cc1 38619609 PLZCMPBUUBFELC-DEOSSOPVSA-N 476.577 3.523 10 10 JHCE C[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59428027 PKMFCOXSWVRCGE-JDGBCZCZSA-N 465.505 3.808 10 10 JHCE Cc1ccccc1-n1c(C)cc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1C 104738562 UHOQTTZMFYZSMA-UHFFFAOYSA-N 460.578 3.950 10 10 JHCE CCc1ccc(-c2nc3cc(C(=O)NCC(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3[nH]2)cc1 1862100534 OSCJWMRNUVECEI-UHFFFAOYSA-N 497.599 3.880 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864006904 AGAGWWPISDIZDJ-NRFANRHFSA-N 474.542 3.664 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864008204 FOHUIWGAVPMORI-JOCHJYFZSA-N 488.569 3.724 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865030704 OZDHAUTUCBRVNS-HRAATJIYSA-N 468.598 3.998 10 10 JHCE CC(=O)c1ccc2[nH]c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c1 1866547188 GHBHFLSAJUZNMD-VWLOTQADSA-N 460.578 3.754 10 10 JHCE CC[C@](C)(NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868785695 WCUIZVYKIPYTLU-NDEPHWFRSA-N 491.636 3.888 10 10 JHCE CCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Cl)cc1 1869971115 XQMKJCZDLZPWQI-UHFFFAOYSA-N 454.962 3.995 10 10 JHCE O=C1NC(=S)N(c2cccc(C(=O)O)c2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2294229472 XSXIBVMWMUCLGT-UHFFFAOYSA-N 496.884 3.828 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCC(=O)Nc3nnc(CC(C)C)s3)C2=O)c1 2296881627 RZZGHCGOGZTYOL-UHFFFAOYSA-N 462.622 3.975 10 10 JHCE COc1ccc2[nH]cc(C=C3SC(=S)N(c4cc(C(=O)O)cc(C(=O)O)c4)C3=O)c2c1 2321583005 YWBKIXUQPAULMO-UHFFFAOYSA-N 454.485 3.979 10 10 JHCE Cn1nc(Br)c(Br)c1CNCc1c(O)cccc1Br 2339042486 XJDQAQQNCDWXPZ-UHFFFAOYSA-N 453.960 3.703 10 10 JHCE Cc1ccc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(F)F)c(O)c1Br 2380772002 LBXDSINXWQHINJ-CQSZACIVSA-N 451.308 3.970 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(CC(=O)Nc4cccc5ccccc45)CC3)CC2)cc1 9072004 FHGPYSUHDHFFTJ-UHFFFAOYSA-N 486.616 3.848 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(C[S@](=O)c4ccc(C)cc4)o3)CC2)cc1 9115702 YHLUALYMVRWJLL-PGUFJCEWSA-N 495.645 3.847 10 10 JHCE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33566963 PCCDMSHXXOPQAM-XDJHFCHBSA-N 480.615 3.934 10 10 JHCE CN(C)c1ccc(CNC(=O)C[C@@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(F)cc2)cc1 35559241 KVHAZXMEEYPNIJ-RUZDIDTESA-N 481.593 3.886 10 10 JHCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1857997014 WHXHWJPNTUGTFO-UHFFFAOYSA-N 462.437 3.544 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cccc(F)c4)n4ccccc34)CC2)cc1 1858236919 QFMVSGJRROHGPN-UHFFFAOYSA-N 473.508 3.697 10 10 JHCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4C)c(C)s2)cc1 1859573285 KLTZQZAMAKMAFH-UHFFFAOYSA-N 470.576 3.787 10 10 JHCE CCCOc1ccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862064240 FFXRUHPDTDGGLY-XMMPIXPASA-N 485.650 3.684 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864014282 RBOHWYRKCXCECH-JOCHJYFZSA-N 476.577 3.629 10 10 JHCE COc1cc2[nH]c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2cc1OC 1866543232 LURFCOZMFUSDRJ-QHCPKHFHSA-N 478.593 3.568 10 10 JHCE CC(=O)c1ccc2[nH]c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c1 1866547187 GHBHFLSAJUZNMD-RUZDIDTESA-N 460.578 3.754 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cc(C)cc4C)cn3CCO)CC2)cc1 1870381066 FAGRVIPJMQTLCJ-UHFFFAOYSA-N 491.632 3.676 10 10 JHCE CCN=c1nc(Nc2ccc(N3CCCCC3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871607632 FURWUIARPMPFFI-UHFFFAOYSA-N 488.640 3.794 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873164565 HPYMAWLISCKGMO-UHFFFAOYSA-N 486.616 3.794 10 10 JHCE O=C1C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2053498256 KFJFVUTZRSXENX-UHFFFAOYSA-N 494.646 3.927 10 10 JHCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1O 2109467506 BJAFYNHWBVNPTI-TYPHKJRUSA-N 461.603 3.881 10 10 JHCE COC(=O)C1=C(C)N(CC(C)C)C(=O)C1=Cc1ccc(OCC(=O)NC2CCCCC2)cc1 2313577378 KHIYGTICPRMUHQ-UHFFFAOYSA-N 454.567 3.843 10 10 JHCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314397334 BRGFIDLZYOITMR-LBPRGKRZSA-N 460.508 3.518 10 10 JHCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@H](C)CC)C1=O 2314413563 AVIFPLQSXDSGFU-OAHLLOKOSA-N 460.625 3.841 10 10 JHCE CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2323827141 AYHRIKWQMABVEH-OQPBUACISA-N 460.371 3.864 10 10 JHCE CSCC[C@H](NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S)C(=O)O 8870204 KCFXLTCGYFFOSJ-QRYCYYKXSA-N 464.634 3.547 10 10 JHCE Cc1cccc(Cn2cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1 20207689 JGFMXVZSKWUNOF-KKVJOTPGSA-N 477.571 3.619 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3c(C)cccc3C)c3ccco3)CC2)cc1 38619613 QDJRGRKVXBCXTM-QHCPKHFHSA-N 476.577 3.523 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@H](C(=O)NCc4cccc(F)c4)[C@H]3C2)cc1 245279103 CJNMPBRFZNTKOV-AZGAKELHSA-N 490.535 3.926 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(COC)s2)sc(C)c1-c1ccc(Cl)cc1 1860765842 QELFHTYLPGCYHQ-UHFFFAOYSA-N 494.982 3.551 10 10 JHCE Cc1ccc([C@@H](C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866958567 XULGFJVHMLUAEC-RPWUZVMVSA-N 484.552 3.626 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651485 UWSRSCPSDMQBTC-UHFFFAOYSA-N 481.604 3.715 10 10 JHCE CCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1875225040 BRRIPHSOKAVWRA-UHFFFAOYSA-N 480.613 3.651 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294094892 CGPBDIKUCQOWOH-UHFFFAOYSA-N 486.480 3.947 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2297336426 YFGQZXSOGHSYEG-UHFFFAOYSA-N 490.443 3.778 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=CC=Cc3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2313515189 YBQMJYVMLMOBLL-DEOSSOPVSA-N 473.598 3.529 10 10 JHCE Cn1nc(Br)c(Br)c1CNCc1cc(Br)ccc1O 2339050001 MUEXKIKRJWTNTB-UHFFFAOYSA-N 453.960 3.703 10 10 JHCE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2533468 FUCSIXRJSDEOLD-CZIZESTLSA-N 451.573 3.880 10 10 JHCE COc1ccc2c(CCNC(=O)CN3C(=O)/C(=C/c4cccs4)SC3=S)c[nH]c2c1 95926296 SDRSWPFCHXVHKX-ZDLGFXPLSA-N 457.602 3.798 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)N4CCCC4)c4ccccc34)C2=O)c1C 103555749 HTKXHDLJTNSOQA-STZFKDTASA-N 470.529 3.547 10 10 JHCE Cc1cc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 109239870 RWJBQDXUBAJVRE-WOIUINJBSA-N 453.583 3.579 10 10 JHCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(OC)cc12 205945154 HAGZGGZOQZMWPE-BUVRLJJBSA-N 464.497 3.688 10 10 JHCE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2O)C1 1286860926 JKBDPQAXXSEMAE-XKCSPQBFSA-N 469.630 3.797 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)sc(C)c1-c1ccc(OCC)cc1 1860762626 LVYAJSDMBOYEGR-ORAYPTAESA-N 490.578 3.853 10 10 JHCE CN(C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865031864 PTGZYNGTDPABPY-NRFANRHFSA-N 474.561 3.984 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@@H](c5ccccc5)C4)nc(C)n3)CC2)cc1 1869299638 KORFFRYYVYXOMI-RUZDIDTESA-N 458.610 3.613 10 10 JHCE CCN(CC)CCn1cc(OCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870791329 PVKZBYHHMVVXSA-UHFFFAOYSA-N 450.583 3.917 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2040498225 FUNSNVFPNLCNBD-UHFFFAOYSA-N 494.642 3.977 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 2053511153 HAVBHLXZWUQMDE-SFHVURJKSA-N 492.626 3.995 10 10 JHCE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2201000854 AHDKQTOWQLTIHF-ICSRJNTNSA-N 473.570 3.897 10 10 JHCE CCN1C(=O)C(=Cc2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)SC1=S 2313533116 ZLZMBFVMDHRIAK-UHFFFAOYSA-N 459.461 3.943 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)cc1OC 16906462 CMFCYCBSRWPCHK-XDHOZWIPSA-N 459.545 3.611 10 10 JHCE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C(C)C)C3=O)c3ccccc32)cc1 33316184 NJVBKPDYRDEWHY-FMQUCBEESA-N 467.572 3.660 10 10 JHCE CCOC(=O)N1CCN(/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)CC1 33329858 IVJSQWUJXWMAAY-QINSGFPZSA-N 467.473 3.609 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc(C)c1 96459814 KUBRDRXTWZKZNT-PUYZJMEQSA-N 498.586 3.594 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCCN(CC)CC)sc(C)c1-c1ccc(F)cc1 1860759322 TZVQFTSPDOKJQT-UHFFFAOYSA-N 463.575 3.826 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864013831 HBDMAFZZSQDVMH-QVKFZJNVSA-N 462.550 3.839 10 10 JHCE CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870361441 FTDOUGSCKAYBOH-UHFFFAOYSA-N 477.605 3.829 10 10 JHCE CCc1ccc(COc2cn(CCCO)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870465282 SXWSKQQSJZPLKD-UHFFFAOYSA-N 491.632 3.703 10 10 JHCE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2080035881 TUCDNEWNEDYLOV-MRXNPFEDSA-N 483.350 3.988 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(C)C)C2=O)cc1 2313547748 AZJJHJVPMNSONN-UHFFFAOYSA-N 459.296 3.911 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)O 2314933360 VKVQOJVGHDLSHZ-UHFFFAOYSA-N 492.962 3.748 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=C(c3ccc(C)c(C)c3)C3CC3)CC2)cc1 2329539768 XPWDRLQKFNPPDF-OAQYLSRUSA-N 461.606 3.959 10 10 JHCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(C)N=C2c2ccc(OC)cc2)cc1OC 2332139269 MXOIASBNVDQKHT-UHFFFAOYSA-N 479.577 3.991 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c(C(=O)O)c1OC 16906227 OLWKOQVVVVJGNF-NTEUORMPSA-N 478.935 3.602 10 10 JHCE COc1ccc(OC)c([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)c1 35963818 WVTXZIXGGFCDOQ-QHCPKHFHSA-N 478.524 3.631 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152336 HMAAWKUHYGMQAH-FDIDITGRSA-N 485.543 4.000 10 10 JHCE NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 606672201 YUTMPZGFGFWWDE-ZROIWOOFSA-N 455.380 3.502 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C(=O)c4ccccc4)c3)CC2)cc1 729579547 GORUWWIOSZSSJV-UHFFFAOYSA-N 458.562 3.870 10 10 JHCE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 1084463568 JGVCWSYPOPQDNU-BOPFTXTBSA-N 494.504 3.981 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@](C)(O)C(C)C)[C@@H](C)C1 1508239930 UOSDDAJKMAMKGP-DCFHFQCYSA-N 478.641 3.817 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3oc4ccccc4c3Br)cc2)CC1 1625199120 PNGBKGWEZDLVFX-UHFFFAOYSA-N 456.340 3.794 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N(C)c4ccccc4)n4ccccc34)CC2)cc1 1858224693 BOCHVMNOKSHJJN-UHFFFAOYSA-N 469.545 3.582 10 10 JHCE COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 1860588969 XWWRKGNQCQMPBV-UHFFFAOYSA-N 498.535 3.970 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027313 GMITVBXBRXXFRN-QHCPKHFHSA-N 474.561 3.667 10 10 JHCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCCCC2)=C(N)O3)cc1 1865034298 SUDLBGXGLIWODW-NRFANRHFSA-N 490.560 3.604 10 10 JHCE CC[C@](C)(NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867161540 AQJFRQYWXQAHLT-NDEPHWFRSA-N 493.523 3.784 10 10 JHCE O=C(NCc1ccco1)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 1871342902 ONEZMKFVQAPNDQ-UHFFFAOYSA-N 461.521 3.859 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3cccc4ccccc34)CC2)cc1 1872639465 CUPYSWMOCJAZCM-UHFFFAOYSA-N 458.518 3.702 10 10 JHCE CCCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873567309 JIMNHFXSLULCSA-UHFFFAOYSA-N 450.587 3.614 10 10 JHCE C[C@H](CCOCc1ccccc1)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136253043 IVBLUHDVUMMFEC-XLIONFOSSA-N 458.555 3.645 10 10 JHCE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCCO1 2163120225 LWDCVYZWEKHGHD-QGZVFWFLSA-N 476.618 3.682 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC[C@H](OCc2ccccc2)C1 2200953579 PVYZPVMNWLOLLC-SFTDATJTSA-N 470.566 3.741 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4C)c(OC)c3)C(=O)N=C2S1 2297346242 OWRVJEUWPMOQRI-UHFFFAOYSA-N 498.586 3.594 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCNC(=O)COc3cc(C)ccc3C)C2=O)c1 2318365769 JPGJVAGBROZELO-UHFFFAOYSA-N 456.589 3.708 10 10 JHCE COc1ccc(N2CCN(C(=O)CN3CC=C(c4cnn(-c5ccc(C)cc5)c4)CC3)CC2)cc1 35403784 OXZIKOKELOFFBG-UHFFFAOYSA-N 471.605 3.627 10 10 JHCE Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(CCc3ccc(F)cc3)C(=O)[C@@H]21 139193112 YHJOOICGVLHRBO-VXNXHJTFSA-N 483.495 3.867 10 10 JHCE CCCn1ncc(N2CCC(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2)cc1=O 581778815 NBPHQOIBLOTPED-UHFFFAOYSA-N 451.615 3.519 10 10 JHCE C=CC(=O)Nc1ccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 1634162381 KNQIASDFHNCPMA-OAQYLSRUSA-N 452.555 3.873 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4)c4ccccn34)CC2)cc1 1858223763 DRLBMVDZXQQRAZ-UHFFFAOYSA-N 455.518 3.558 10 10 JHCE CCN(CC)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858589351 NZPOGTJKNPFYHS-CAPFRKAQSA-N 463.669 3.867 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Cc4ccccc4[N+](=O)[O-])CC3)ccc21 1860597252 CSTDFTFXYAUHNG-UHFFFAOYSA-N 497.507 3.790 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864014897 FSSMSXTXNVMRGI-OAHLLOKOSA-N 494.857 3.786 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865030187 FJFPUNIHVVSKCQ-QFIPXVFZSA-N 489.576 3.728 10 10 JHCE CCc1sc(NC(=O)[C@@H](N)CCCCN)c(C(=O)OC)c1-c1ccc(Br)cc1 1865998603 AOCFIAHPRMOBOL-AWEZNQCLSA-N 468.417 3.921 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccn4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970482 KMNUEHXMYZXPIT-UHFFFAOYSA-N 489.967 3.903 10 10 JHCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)cc1 2297345902 LOXPNIJPMDYERO-UHFFFAOYSA-N 469.592 3.802 10 10 JHCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 2297347610 NFJFRIQBVUJNNO-UHFFFAOYSA-N 472.251 3.720 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCC)C2=O)cc1 2313548585 ZAFFCECEHQPDPJ-UHFFFAOYSA-N 459.296 3.913 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)SC(=Cc3ccc(N(C)C)cc3)C2=O)cc1 2314436983 WDQTZXBQGRQWJE-UHFFFAOYSA-N 467.547 3.994 10 10 JHCE CCCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)SC1=S 40885172 UWROMHVXCDVYGU-LCYFTJDESA-N 460.371 3.708 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C2=O)cc1 59679794 UCAZPZSKQPIHRG-WJDWOHSUSA-N 474.311 3.707 10 10 JHCE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(C)n(-c2cccc(Br)c2)c1C 72059562 WZJFBWPISLONAF-UHFFFAOYSA-N 488.407 3.968 10 10 JHCE Cc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2)s1 211940789 LXRGCMGHKBINFU-CXUHLZMHSA-N 472.573 3.858 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)cc2C)C1 1286845233 MEKLGQQXWLHFKB-FQEVSTJZSA-N 450.587 3.574 10 10 JHCE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N(CC)CC)cc1 1705500450 NJMNMGNCMFXBNZ-GOSISDBHSA-N 450.612 3.622 10 10 JHCE CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 1705976522 RHQSBZVKZPSBLP-UHFFFAOYSA-N 452.647 3.919 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(F)cc4)c4ccccn34)CC2)cc1 1858228913 HLZOJUCSVNQKIJ-UHFFFAOYSA-N 473.508 3.697 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(COc4ccccc4OC)n4ccccc34)CC2)cc1 1858341186 RTFBNWIVMYYUTK-UHFFFAOYSA-N 472.545 3.893 10 10 JHCE CC[C@@H](C)NC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858845869 SYGPDCRZORUCRI-OAHLLOKOSA-N 472.501 3.795 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1860758826 QNDWTGCLTMERIL-UHFFFAOYSA-N 497.367 3.582 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864013830 HBDMAFZZSQDVMH-BTYIYWSLSA-N 462.550 3.839 10 10 JHCE CC[C@@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663624 HGYLKEGKZFJPSY-RRPNLBNLSA-N 486.616 3.660 10 10 JHCE CC[C@](C)(NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868934030 YQWMTZCNVZHTLG-SANMLTNESA-N 497.546 3.611 10 10 JHCE CCCC[C@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869035178 BAGNZJLXUSEREI-CPJSRVTESA-N 477.605 3.779 10 10 JHCE COc1ccc([C@H]2[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)cc1 1874179816 QTDHMFFSYFMJIU-YKSBVNFPSA-N 454.482 3.629 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1Cl 2313559710 NSPAVKDTQDNURV-UHFFFAOYSA-N 450.632 3.677 10 10 JHCE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 2313631123 AOULCQLUQLWKGK-GOSISDBHSA-N 476.577 3.837 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)CC(C)(C)C 35962226 FPPCUODLAJJAPS-JOCHJYFZSA-N 456.562 3.753 10 10 JHCE CCN(CC)c1ccc(CN(CCOC)C(=O)c2cccc(F)c2)c(OS(=O)(=O)CC)c1 37423006 ZHWKYYLNFQDTRK-UHFFFAOYSA-N 466.575 3.689 10 10 JHCE CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1c(O)[nH]c(=O)n(-c2ccc(C)cc2)c1=O 103790662 JUAQKMVQBFGDJJ-XNTDXEJSSA-N 471.300 3.653 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 256039363 YMFGDMCHCVNROI-LOSJGSFVSA-N 474.667 3.579 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 1083958297 VCDSDCFIXHCAFN-UVTDQMKNSA-N 482.405 3.733 10 10 JHCE CC[C@@H](NC(=O)COc1ccc(OC)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862172611 WAYURAGLUMEGTD-XMMPIXPASA-N 497.636 3.624 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)COc3cccc(C)c3C)c3ccccc3)CC2)cc1 1862192745 LJFTYPCZKFINHW-NDEPHWFRSA-N 487.600 3.897 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016663 UZJFPMCVOMYHHW-QFIPXVFZSA-N 482.540 3.992 10 10 JHCE C[C@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867668011 GBHSQZCPUUIBLP-DFBJGRDBSA-N 461.610 3.696 10 10 JHCE C[C@H](CNCc1cc(Cl)cc(Br)c1O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238407702 HVPJSIFOTCSYLF-CWTRNNRKSA-N 463.800 3.906 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCC(=O)O)C1=O 2314399639 AMVOYPKBSPKLFW-UHFFFAOYSA-N 474.608 3.671 10 10 JHCE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 33592345 WNPKGIKNZHUNFG-PCLIKHOPSA-N 491.613 3.940 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1OC)C(=O)c1cccs1 35962395 BNXCNUILWMLTSA-NRFANRHFSA-N 480.590 3.562 10 10 JHCE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1ccccc1[N+](=O)[O-] 39793998 GTNNSLFWUHRDCT-NVNXTCNLSA-N 494.348 3.864 10 10 JHCE COCC(=O)N(C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(C)C 248106094 IPVAVAPKCVDHPR-WIOPSUGQSA-N 453.627 3.860 10 10 JHCE COc1ccc2c(/C=C3\SC(=S)NC3=O)c(OCC(=O)O)ccc2c1Br 504428767 HYJCTETVXIZFGZ-MLPAPPSSSA-N 454.323 3.563 10 10 JHCE CC(C)Oc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858609662 MHQJBRLZOFGLCG-UHFFFAOYSA-N 464.499 3.760 10 10 JHCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864007538 PDYPXDUCGSEARA-HSZRJFAPSA-N 492.576 3.610 10 10 JHCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCOCC2(C)C)n1 1868254441 PGJNBEZBWAYYEN-UHFFFAOYSA-N 472.545 3.800 10 10 JHCE O=C1CCCN1CCCn1cc(OCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870786396 HYZDCXINPSMVEM-UHFFFAOYSA-N 476.577 3.588 10 10 JHCE COc1cc(Br)cc([C@@H]2[C@@H](C(=O)O)CCN2C(=O)OCc2ccccc2)c1O 1952971974 MSCBHTBYLQYYOI-YOEHRIQHSA-N 450.285 3.948 10 10 JHCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)ccc(N)c2C1 2153990106 JNXVLQFWGGMECO-RPBOFIJWSA-N 464.610 3.652 10 10 JHCE CC(C)(C)OC(=O)NCC[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCO1 2176036564 BJFWZTYJMYYWAP-KRWDZBQOSA-N 476.618 3.682 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NC(C)C)nc12 2295982183 YQPJRDOZYCHUDY-UHFFFAOYSA-N 494.598 3.953 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1F 2297625064 UBZATWGXSCKELD-UHFFFAOYSA-N 474.444 3.716 10 10 JHCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccccc3C)C2=O)cc(OC)c1O 2314837926 YMKQPLLYBVIQQL-CYBMUJFWSA-N 458.561 3.946 10 10 JHCE C[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314842338 PZNLVYALVSFMQT-RXMQYKEDSA-N 467.160 3.592 10 10 JHCE O=C1c2ccccc2-c2onc3c(N4CCN(c5ccccn5)CC4)cc(N4CCOCC4)c1c23 9641585 DDFULIRQAXICIJ-UHFFFAOYSA-N 467.529 3.597 10 10 JHCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccc(Cl)cc1[N+](=O)[O-] 10672921 KZYNAMIOVVPPQV-CAOOACKPSA-N 491.934 3.608 10 10 JHCE CN(C)[C@H](CNC(=O)CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccco1 205607450 DTYNWBVMBBYOIV-HNMKQIAWSA-N 461.584 3.819 10 10 JHCE CC(=O)c1cc(F)cc(CN2CCc3nc[nH]c3C23CCN(C(=O)OC(C)(C)C)CC3)c1O 1460333364 OUFWTNGPSHVQGB-UHFFFAOYSA-N 458.534 3.742 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1690773107 BVNJACYNKGGVSE-UHFFFAOYSA-N 470.687 3.525 10 10 JHCE CC[C@@H]1CCCCN1C(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n2ccccc12 1858224377 SZQXIWJKSYNYAB-HXUWFJFHSA-N 475.593 3.710 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(O)cc2)sc(C)c1-c1ccc(F)cc1 1860758086 ADWVUVSIOGWKSE-UHFFFAOYSA-N 456.495 4.000 10 10 JHCE CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862202527 NHMVXJNENVVMJD-HXUWFJFHSA-N 480.392 3.624 10 10 JHCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864012694 HAZHXJHBHBMGGW-FQEVSTJZSA-N 482.968 3.779 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864017931 YUAFZGIUQDCNIO-OAQYLSRUSA-N 462.550 3.847 10 10 JHCE COc1ccc(N2CCN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Br)CC2)cc1 1873524765 MARXKLDTBODIFT-UHFFFAOYSA-N 475.774 3.984 10 10 JHCE COc1cc(Br)cc([C@@H]2[C@H](C(=O)O)CCN2C(=O)OCc2ccccc2)c1O 1952971971 MSCBHTBYLQYYOI-PBHICJAKSA-N 450.285 3.948 10 10 JHCE CCOc1cc(C=O)ccc1OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)Cc1ccco1 40320252 AJHYOELBSIUSHE-HSZRJFAPSA-N 452.551 3.999 10 10 JHCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1cccc(C)c1 83311779 CMMIKWBOJCUOBN-MOHJPFBDSA-N 488.540 3.939 10 10 JHCE Nc1cc(Oc2cccc(O)c2)c(N)c2c1C(=O)c1c(N)c(Oc3cccc(O)c3)cc(N)c1C2=O 206676194 PTYIDVAMWYIZGV-UHFFFAOYSA-N 484.468 3.787 10 10 JHCE COCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)SC1=S 213177693 PRACACKAGLYYQE-AQTBWJFISA-N 467.572 3.951 10 10 JHCE CC[C@H]1CCCCN1C(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n2ccccc12 1858224376 SZQXIWJKSYNYAB-FQEVSTJZSA-N 475.593 3.710 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4CCc5ccccc54)c4ccccn34)CC2)cc1 1858225329 ROQQJMFERMFEHD-UHFFFAOYSA-N 481.556 3.508 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018698 AJOLSNRVDHHYNP-OPAMFIHVSA-N 476.577 3.823 10 10 JHCE CC(C)COc1cccc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867694574 BRHFYFCHNRSGJO-SANMLTNESA-N 480.653 3.861 10 10 JHCE O=C(CCc1csc(-c2ccccn2)n1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868148097 DJCNFBYEWCCOPM-UHFFFAOYSA-N 496.548 3.668 10 10 JHCE COCCCN1C(=O)C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 2296714403 VZMSYMLSQLLWKG-UHFFFAOYSA-N 458.609 3.677 10 10 JHCE C[C@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3cccs3)C2=O)c2ccccc21 2297365237 YZGBUQQIRATGRY-KRWDZBQOSA-N 490.585 3.766 10 10 JHCE O=C1C(=Cc2ccncc2)SC(=S)N1C(=O)c1ccccc1I 2297578844 UFBMLJICMSQRCN-UHFFFAOYSA-N 452.298 3.728 10 10 JHCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(S(N)(=O)=O)cc2)cc1 2313683649 NGGWIZMPZLMMDF-UHFFFAOYSA-N 480.521 3.619 10 10 JHCE CN1CCN(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)CC1 2314489210 QOORMHYKKVEJQZ-UHFFFAOYSA-N 464.956 3.872 10 10 JHCE CCc1cc2c(N3CCC[C@@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)ncnc2s1 33078317 DBWSHFZXHLNGLO-GOSISDBHSA-N 465.623 3.828 10 10 JHCE CN1CCN(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)SC2=S)CC1 35519364 TXBQPWYCMDISQF-PGMHBOJBSA-N 461.616 3.903 10 10 JHCE Cc1cccc(CS(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c1 62694795 PPOOJHFLUDUULC-UHFFFAOYSA-N 483.609 3.872 10 10 JHCE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccccc2)(C(=O)O)N[C@H]3c2ccccc2O)cc1Cl 248147122 IDROUFKYXZJKMM-GIRPNKPCSA-N 490.943 3.870 10 10 JHCE CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)C2=S=C(c3cc[nH]n3)C=C2)cc1 1630012710 FKSMOQKWZDMVIO-UHFFFAOYSA-N 453.545 3.630 10 10 JHCE C[C@@H]1Oc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)Oc3ccc(N)cc3)cc2N(C)C1=O 1858694922 OIDDOMZSPGONHL-CABCVRRESA-N 476.489 3.669 10 10 JHCE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864017348 KGSLNZPGUAWETM-NRFANRHFSA-N 492.576 3.845 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](CO)C4)nc(-c4ccccc4C)n3)CC2)cc1 1867961587 WJJJKKBPAJLEIC-QFIPXVFZSA-N 473.621 3.996 10 10 JHCE CC[C@](C)(NC(=O)CCCC(=O)c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868733578 OLXCYEMNQODRQX-VWLOTQADSA-N 471.623 3.743 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)cc4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1 1869969331 AQQIJSBRKISSRA-UHFFFAOYSA-N 482.588 3.894 10 10 JHCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1891742395 DAZZLBRGKOEMBM-CVDCTZTESA-N 471.598 3.532 10 10 JHCE Cc1c(NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2297258652 XDIUJYSNOAHWOX-UHFFFAOYSA-N 496.589 3.854 10 10 JHCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(OC)c(OC)c1 2297347568 IZASPQVKNVVGJX-UHFFFAOYSA-N 477.473 3.772 10 10 JHCE Cc1cccc(N2C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1 2313562291 KQZJTTCFZSLEKU-UHFFFAOYSA-N 460.353 3.782 10 10 JHCE COc1cc([C@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 13641267 OUKRZUALJHUNSX-XLNZFTOWSA-N 463.578 3.927 10 10 JHCE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1ccc(O)cc1 15056225 LREPYFDAVKUUEW-NVNXTCNLSA-N 465.350 3.661 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cc(C)cc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 40317543 YMWFVHNNUBAPFA-JWQCQUIFSA-N 474.667 3.579 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310990 ORRMBGVGFYNZEF-HSZRJFAPSA-N 458.624 3.744 10 10 JHCE O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccc(F)cc1 59500983 UGJYPFRFWADWBH-BHIFYINESA-N 455.441 3.516 10 10 JHCE O=C(C1=CN(c2ccc(Cl)c(Cl)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 65096345 KSXGNKCPWJSDCB-UHFFFAOYSA-N 457.310 3.758 10 10 JHCE COc1ccc(C)cc1N1C[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 170558963 FCDSBYPQGRCBRT-MRXNPFEDSA-N 454.482 3.771 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OCC(=O)O)SC2=S)cc1OC 210433665 ZYBBLENTZPDYGM-UNOMPAQXSA-N 459.545 3.611 10 10 JHCE CCCC[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861957674 NHRCUHCFGUZNJN-WIJYMUHASA-N 480.565 3.640 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccccc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873162466 WOWNLGJHMSMEGM-UHFFFAOYSA-N 479.584 3.972 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccccc2F)SC1=S)N1CCN(c2ccccc2)CC1 2296885141 FLPQVEUXPBKCGV-UHFFFAOYSA-N 455.580 3.766 10 10 JHCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(OC)c(OCC)c3)SC2=S)CC1 2323858227 VHEKGWVCGQZAJY-UHFFFAOYSA-N 450.582 3.916 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C(C)C)C3=O)c3ccccc32)cc1 33330234 GQOILNMLGYZMAM-FMQUCBEESA-N 451.573 3.960 10 10 JHCE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N3CCOCC3)c(F)c1)O[C@H](C)C2 730481219 HWVPPTJPYOMKFF-PBEJRMEISA-N 454.542 3.804 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)N4CCCC[C@@H]4C)cc3C)CC2)cc1 743313064 AUNUIXNHRLDGRL-QFIPXVFZSA-N 493.652 3.962 10 10 JHCE COc1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 1858035399 NVSFQVLKSLVCOZ-UHFFFAOYSA-N 450.516 3.854 10 10 JHCE COC(=O)c1c(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccccc1 1866239611 RGURPZCECTTZQZ-HNNXBMFYSA-N 475.567 3.607 10 10 JHCE C[C@H](O)Cn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870935622 SIKAXYCBRYQERO-FQEVSTJZSA-N 499.571 3.997 10 10 JHCE CCN(CC)CCCCN1C(=O)C(NCCCOC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165286 GEJPXRBUPVYGBK-UHFFFAOYSA-N 480.653 3.922 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(CCCN(C)C)C2=O)cc1 1873421260 OEBBDXGSKVGWBT-UHFFFAOYSA-N 486.572 3.967 10 10 JHCE CCCCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCOC 1873557613 UQPJOSSKYDALOC-UHFFFAOYSA-N 494.640 3.675 10 10 JHCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)c1 2297346008 WAKHXFGQSJLYSK-UHFFFAOYSA-N 485.591 3.503 10 10 JHCE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 2297460495 OFTPMALALOFSGC-LJQANCHMSA-N 492.578 3.953 10 10 JHCE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 2297499753 ZMLZESJXWPROOE-UHFFFAOYSA-N 483.509 3.977 10 10 JHCE COc1ccc(N2CCN(C(=S)NC(=O)C=Cc3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 2313720506 OABHTKFMVBIVSF-UHFFFAOYSA-N 468.579 3.963 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc(Br)cc3)CC2)cc1 2328572070 CEORNEJAMRVQKJ-HSZRJFAPSA-N 498.421 3.811 10 10 JHCE COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1F 8608570 AQYCUMVXNLJNMH-XMMPIXPASA-N 469.582 3.983 10 10 JHCE aggregator CCCCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 33468420 NHPMQKFUEVECCP-SUCHYCSPSA-N 458.609 3.677 10 10 JHCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCCCC3)nc12 33528857 VIWMKOUHVKERBY-AQTBWJFISA-N 466.588 3.988 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c(OC)c1OC 210233159 MXZVPMOVNGBFTC-OQLLNIDSSA-N 475.500 3.515 10 10 JHCE CCC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861970013 ZTDNLZWXHFFFJZ-HHHXNRCGSA-N 492.664 3.541 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(OCC(C)C)cc3)CC2)cc1 1862263064 WYLRVZSYPXIJFT-XMMPIXPASA-N 483.634 3.594 10 10 JHCE COC(=O)c1c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccccc1 1866239612 RGURPZCECTTZQZ-OAHLLOKOSA-N 475.567 3.607 10 10 JHCE CC[C@](C)(NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868762702 DXFFLLPOMIJNKQ-BCHFMIIMSA-N 455.574 3.647 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 1873532211 CDMNTFHPYCNAOP-UHFFFAOYSA-N 492.923 3.678 10 10 JHCE COc1cccc(NC(=O)c2cc(OC(C)=O)c3c(c2)C(=O)c2cccc(OC(C)=O)c2C3=O)c1 1873877931 VALFBRLROBUVRC-UHFFFAOYSA-N 473.437 3.574 10 10 JHCE O=C([C@H]1CN(C(=O)C=Cc2cnn(Cc3ccccc3)c2)c2ccccc2O1)N1CCCCC1 2040482720 WRJGMOHDUOPRCH-RUZDIDTESA-N 456.546 3.751 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCCCCC(=O)N=c3cc(C)o[nH]3)C2=O)cc1OC 2296882304 NQCLMWSXGKFENU-UHFFFAOYSA-N 475.592 3.822 10 10 JHCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2314414466 ZUPBOQFRQRSVME-MRXNPFEDSA-N 472.636 3.985 10 10 JHCE COc1cc(C=C2SC(=S)N(CC(=O)OCC(C)C)C2=O)cc(Br)c1OC 2314741388 YMDZPCBDTFAPIT-UHFFFAOYSA-N 474.398 3.867 10 10 JHCE CCC[C@@H](NC(=O)C=Cc1ccc(OCC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330609671 BNVOWFLGDPGMGH-XMMPIXPASA-N 495.620 3.749 10 10 JHCE COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)C2=O)cc1 666834 DQWWGJWVRUUFQE-LDADJPATSA-N 480.860 3.635 10 10 JHCE CCN(CC)c1c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c(=O)n1C 33454369 DADGAKDYWKYUIY-YBFXNURJSA-N 470.595 3.952 10 10 JHCE Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33541253 AMBXZQDBSXUMHQ-PGMHBOJBSA-N 459.458 3.822 10 10 JHCE O=C(O)CCCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 33891568 VXLQFCCUWRYGDS-GHRIWEEISA-N 498.586 3.746 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCSc2nccs2)CC1 1540980054 UUFXAGUSOPFEFE-UHFFFAOYSA-N 494.593 3.854 10 10 JHCE CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCCSc2nccs2)[C@H](C)C1 1706000804 ULSATKLQTJVNPQ-MRXNPFEDSA-N 490.630 3.692 10 10 JHCE CCN(CC)CCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347255 FIPIVSBXVWEKNO-HHHXNRCGSA-N 473.621 3.636 10 10 JHCE CC[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868639161 FTUPAXMBDDUDSJ-DEOSSOPVSA-N 490.604 3.753 10 10 JHCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3)C(=O)C2)n1 1869224833 FKWFULQUWQGGEX-UHFFFAOYSA-N 486.620 3.618 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccc5ccccc45)C3)CC2)cc1 1871335797 BZBKRRWFLSANDK-JOCHJYFZSA-N 493.629 3.598 10 10 JHCE CCOC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 2293541165 NKAZYRKOIUBXMQ-UHFFFAOYSA-N 451.866 3.524 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C(C)C)C3=O)c3ccccc32)c1 2296539288 LKTFYKVBTROXKJ-UHFFFAOYSA-N 451.573 3.960 10 10 JHCE CCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650471 IRBXMBHODHEISN-UHFFFAOYSA-N 454.621 3.856 10 10 JHCE Cc1cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1 3346415 JCQDKRFVLBRLGI-UHFFFAOYSA-N 467.428 3.987 10 10 JHCE C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 15034518 PZNLVYALVSFMQT-OCSNJMNKSA-N 467.160 3.592 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=N)N21 20206635 LONBHTKPKQPWLK-FWPSJRISSA-N 488.978 3.930 10 10 JHCE Cc1cc(C(=O)Cn2c(=O)c3ccc(C(F)(F)F)nc3n(C)c2=O)c(C)n1-c1cccc(F)c1 31451888 ARXFQOLXZYDQFE-UHFFFAOYSA-N 474.414 3.544 10 10 JHCE CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2CCCO)c2cc(Br)ccc21 33431380 MTDFRENXFAHIQM-NBVRZTHBSA-N 468.351 3.839 10 10 JHCE O=C(O)CCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 33553450 JYKBYUOIGFNNKM-RVDMUPIBSA-N 487.946 3.816 10 10 JHCE COc1ccc(CCC(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38598166 PUGOFZBLUDKLFG-RUZDIDTESA-N 463.578 3.909 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3cc4ccccc4oc3=O)c3ccco3)CC2)cc1 38606483 LLKQLYATLFSTLE-HSZRJFAPSA-N 473.529 3.688 10 10 JHCE Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 59074265 HAZYTXANJIRYOP-VWLOTQADSA-N 499.658 3.845 10 10 JHCE O=C(CN1C(=O)CSC=C1c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 71528266 YBGZWQJIKVFHBN-UHFFFAOYSA-N 454.507 3.975 10 10 JHCE CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 103349204 UKSUCYKOTIHRMR-QGOAFFKASA-N 456.549 3.987 10 10 JHCE Cc1cc(C(=O)N2CCN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)CC2)on1 108649844 VVNNCBLQOMHJJW-UHFFFAOYSA-N 471.355 3.751 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cc(OC)ccc1OC 205941276 UNMDXNMJYXLBOZ-FYJGNVAPSA-N 466.519 3.965 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 206928996 BRXFHFQRKXRDPN-ZHZULCJRSA-N 483.615 3.788 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 214755157 AMYHDUGVHNSSNQ-GZTJUZNOSA-N 489.531 3.548 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864016844 YMYXGZZBWHHAGC-OPAMFIHVSA-N 497.555 3.955 10 10 JHCE CC(=O)c1ccc2c(c1)oc(=O)n2[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865767535 BIQUBUYUMKCVEG-ZDUSSCGKSA-N 454.438 3.772 10 10 JHCE C[C@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866787424 USVQVTOYEZNUHN-KRWDZBQOSA-N 498.535 3.699 10 10 JHCE COCCN1C(=O)C(Nc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419927 FWJFRWZSUFPCKO-UHFFFAOYSA-N 475.545 3.950 10 10 JHCE CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 2296711210 CGIUQNIUXWVMAR-UHFFFAOYSA-N 451.573 3.880 10 10 JHCE O=C(O)CCCCCNC(=O)CCCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314831106 CPCHHLZCUGFLEL-UHFFFAOYSA-N 459.593 3.911 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(O)c(C(=O)O)c2)C1=O)C(=O)O 2314926213 DHJGXKFBOSXQET-OAHLLOKOSA-N 459.501 3.738 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330068497 VPYGADMBFCJUTP-DEOSSOPVSA-N 467.635 3.685 10 10 JHCE Cc1ccccc1C(=O)NN1C(=O)/C(=C2\C(=O)N(C)c3ccc(Br)cc32)SC1=S 1891758 GHCVROXOOCAGQB-FOCLMDBBSA-N 488.388 3.650 10 10 JHCE CCCCCN1C(=O)/C(=C\c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 102705273 MNNJDROVWUSOME-SAPNQHFASA-N 474.677 3.948 10 10 JHCE CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1)C(C)C 1674501655 ANIVWNDMFZMHKV-UHFFFAOYSA-N 456.562 3.865 10 10 JHCE COc1cccc(C(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)c1 1860866106 PRDJYPBGLOGQDB-UHFFFAOYSA-N 458.562 3.976 10 10 JHCE COc1ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867304981 MPWNXZSFMQBJKL-QHCPKHFHSA-N 496.652 3.622 10 10 JHCE CC[C@@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867367211 WVKTUUNBOSAECY-PKTZIBPZSA-N 496.652 3.622 10 10 JHCE CCc1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1[N+](=O)[O-] 1871306582 PQHXFJHTNHHMNL-UHFFFAOYSA-N 479.497 3.934 10 10 JHCE CC[C@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2296715346 PZIWTKJSEYKRMU-HNNXBMFYSA-N 465.600 3.720 10 10 JHCE COCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2296851513 MALPLEUEVQGSJP-UHFFFAOYSA-N 483.571 3.651 10 10 JHCE COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC=C1C(=O)N(c2ccccc2)N=C1C 2297101928 CNHURGLJEPASDF-UHFFFAOYSA-N 454.552 3.588 10 10 JHCE O=C(O)CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 2314930286 AIGUFJGASMNHHM-UHFFFAOYSA-N 462.936 3.740 10 10 JHCE CCCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2323814066 JQQNCJADGFPWKZ-QGZVFWFLSA-N 464.609 3.778 10 10 JHCE CCOc1ccccc1/C=C/C(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 12581748 JBTLMTCMMVZAKG-OCPJZBGJSA-N 482.583 3.845 10 10 JHCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14469162 IOKITYPBFQTGHT-NSSDIGLXSA-N 498.601 3.904 10 10 JHCE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152342 CHCMHFWYQJNIFR-OKHBPPCESA-N 457.489 3.521 10 10 JHCE CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C2Sc3ccccc3N2C)c(=O)n1-c1ccccc1 254816323 LXHUIBMWEWKPCT-UHFFFAOYSA-N 496.617 3.780 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)cc1 742919625 AEVUAZSAENTXIR-UOYQGRGCSA-N 476.459 3.667 10 10 JHCE N=[S@](=O)(O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)o2)cc1 1084413590 YXGBAPVSKIBNHB-XMHGGMMESA-N 465.487 3.530 10 10 JHCE CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 1474854233 VIYZRXLXXRRKBB-KBPBESRZSA-N 454.951 3.774 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)c2nccn2C)cc1 1866069856 RWUBAOHXMCCBCE-HXUWFJFHSA-N 480.366 3.610 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(Cc3ccncc3)C2=O)cc1 1873165761 UJTLNZUPWPWZKG-UHFFFAOYSA-N 458.562 3.784 10 10 JHCE COC(=O)c1c(C2CCC2)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2080007050 SZQOALMJRIXQLF-JTQLQIEISA-N 456.280 3.865 10 10 JHCE O=C(O)CN1C(=O)C(=Cc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)SC1=S 2297453368 LZUBLSOEMAVSSH-UHFFFAOYSA-N 461.433 3.581 10 10 JHCE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(Br)o3)C2=O)c1 2313557230 XOBSYLWYTOTKEM-UHFFFAOYSA-N 484.100 3.870 10 10 JHCE Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2314842120 AMOAWERNNYESHM-UHFFFAOYSA-N 476.963 3.952 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1OCC(=O)O 16915736 NIAZGKPRKKPEBD-YBFXNURJSA-N 472.544 3.913 10 10 JHCE COc1ccc(-c2ccc(N3CCC[C@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)nn2)cc1 22481645 HIXWLHMGKMAQHU-QFIPXVFZSA-N 487.604 3.726 10 10 JHCE Cc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 101993373 KVOSZFRDQRAWBI-FSSWDIPSSA-N 455.441 3.829 10 10 JHCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 102464205 NJUGGSLOIGWCOJ-GICBFTDPSA-N 474.458 3.926 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)sc(C)c1-c1ccc(C)cc1 1860749817 CNRLCAXMEPEOLE-UHFFFAOYSA-N 493.541 3.751 10 10 JHCE CCCOc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862057422 BMXOSOOQDFZDDC-QHCPKHFHSA-N 485.650 3.684 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@H]2c1ccc(O)c(O)c1 1864010438 SJXHWPRAPJOLBJ-IBGZPJMESA-N 488.466 3.652 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864014144 OBWPMOIRGQWVSZ-NRFANRHFSA-N 466.582 3.968 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027840 MGXVINYCOKQTRU-HJPURHCSSA-N 474.561 3.853 10 10 JHCE CC[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868637617 ULUGBNBAGRRYDX-XMMPIXPASA-N 490.604 3.753 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccccc3)C2)n1 1869130203 FTRPACDZDLTUFM-DEOSSOPVSA-N 459.594 3.952 10 10 JHCE COCCCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871662336 CHGSUJFNKKBOKN-UHFFFAOYSA-N 498.031 3.783 10 10 JHCE C[C@@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 1874017302 NNBKYLYATCYXLX-AOMKIAJQSA-N 481.508 3.862 10 10 JHCE Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2C(=O)NN(c3ccccc3)C2=O)cc1 2293320639 AQLMRUSCMWKTTR-UHFFFAOYSA-N 459.458 3.822 10 10 JHCE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2ccccc21 2296712192 IKIULHJXBXKYIN-UHFFFAOYSA-N 451.573 3.960 10 10 JHCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 2313556291 UUJIHSLMJUTLMM-UHFFFAOYSA-N 480.816 3.693 10 10 JHCE O=C(CN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)NCc1ccccc1 2314827341 BZFFZWIRLGIWBT-UHFFFAOYSA-N 463.378 3.672 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 2920209 PDUGQOOAQRDTFD-GZTJUZNOSA-N 453.248 3.869 10 10 JHCE Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1cccc(F)c1 8646984 HSXDFKVTNRVETH-XMMPIXPASA-N 464.453 3.791 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1)C(=O)C1CCCC1 35960327 PRJVNOCAEXQWKO-DEOSSOPVSA-N 450.583 3.676 10 10 JHCE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39989698 SDYMYHCFGCCZRQ-CCRNYGKSSA-N 474.652 3.522 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 47152192 JHFIPRKPNZUPIF-BOPFTXTBSA-N 459.505 3.539 10 10 JHCE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 96460058 AOPYPDYBQOITQY-MRDWGVERSA-N 488.978 3.849 10 10 JHCE N[C@H](c1ccsc1)c1cc(I)cc(I)c1O 709765536 ZWEIJYRJDWWUER-SNVBAGLBSA-N 457.074 3.711 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N[C@@H](C)c4ccccc4)c4ccccn34)CC2)cc1 1858224169 NUYJMTXUPIBXPH-FQEVSTJZSA-N 483.572 3.796 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865032277 ZTRSWBMYADFKGT-HXUWFJFHSA-N 460.534 3.688 10 10 JHCE NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 1866120832 MMODTBBSUZOZLD-QFIPXVFZSA-N 462.506 3.560 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(-n3cccc3)cc2)N2CCCCC2)cc1 1867749403 GMXSDMZHOLUCMU-AREMUKBSSA-N 473.621 3.617 10 10 JHCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873162080 FQWXIBJIBJVFRB-UHFFFAOYSA-N 486.616 3.577 10 10 JHCE COCCCN1C(=O)C(NCCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165897 VTYKJLBJVKWXJJ-UHFFFAOYSA-N 453.583 3.615 10 10 JHCE COc1ccc([C@H](C2CCC2)n2nc(C(C)C)c(C(N)=O)c2I)c(O)c1 2079999126 VERCJGUGFPYCDF-KRWDZBQOSA-N 469.323 3.814 10 10 JHCE Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(N3CCCC3)o2)C(=O)NC1=S 2294229341 LPWDIFGBWAZAOA-UHFFFAOYSA-N 460.353 3.782 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 2297312744 BNVPZDYRCVHHOZ-UHFFFAOYSA-N 453.252 3.609 10 10 JHCE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2C)cc1 3657914 LYSLVRLJGHASTR-RRPNLBNLSA-N 485.584 3.963 10 10 JHCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 226796786 ZVIQFQXXFLIHPM-IMWIBFENSA-N 486.590 3.560 10 10 JHCE Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]32)c1 253577711 XJTBZINIILWAFX-VSKRKVRLSA-N 455.441 3.829 10 10 JHCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@@H]43)C[C@@H]2C)cc1 504214209 QNAQXRSCTQFKEU-FOYDBXNLSA-N 454.611 3.733 10 10 JHCE biogenic O=C(O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 1084466700 ZSAOSTRPSZVYES-WZUFQYTHSA-N 469.664 3.777 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(NC(=O)NC(C)(C)C)c3)c2)CC1 1296481803 QATVUTJEFNAOFB-UHFFFAOYSA-N 451.571 3.836 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008254 GQXJSYCUICAIFG-JOCHJYFZSA-N 488.569 3.973 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865026200 JVFSKIQCLRWTKE-NPMXOYFQSA-N 492.551 3.743 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030397 JAKWIRQHOPKEAR-IERDGZPVSA-N 468.598 3.856 10 10 JHCE COc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1866024566 SHVFCBOIFGBXQD-NRFANRHFSA-N 456.543 3.635 10 10 JHCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3ccccc3C2)n1 1867952803 ZOJABZRQLSEFCH-UHFFFAOYSA-N 459.594 3.563 10 10 JHCE O=C1C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 2040517825 MMLSGYSLPAVLGQ-UHFFFAOYSA-N 480.619 3.537 10 10 JHCE CCN1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3c(C)cccn3c2=O)SC1=S 2296707938 ZHERCUOUXNQHDN-UHFFFAOYSA-N 480.571 3.565 10 10 JHCE O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)c(C(=O)O)c1 2297363603 ONOUEYDMSQXEBP-UHFFFAOYSA-N 487.424 3.538 10 10 JHCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3ccc(OCC)c(OC)c3)SC2=S)CC1 2323858201 RNBMYDDABYLXNK-UHFFFAOYSA-N 450.582 3.916 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cccc21 9504776 ATBBFHNEWNMLLV-UHFFFAOYSA-N 480.567 3.563 10 10 JHCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1 16908197 NMBPAUAEQSYIRA-LFIBNONCSA-N 462.936 3.740 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)O 16915827 VKVQOJVGHDLSHZ-RQZCQDPDSA-N 492.962 3.748 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 39835788 FTGVGPQXJPJLRM-QGOAFFKASA-N 467.572 3.951 10 10 JHCE C[C@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 65062327 GQYKMFKSBDYTLX-HNNXBMFYSA-N 470.060 3.821 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N21 96460042 YLOSLWFBUAWDLJ-BQLOJNAPSA-N 474.951 3.540 10 10 JHCE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCOCC)C1=O 102686770 VTUAKPJPXMLEIJ-FBMGVBCBSA-N 474.652 3.949 10 10 JHCE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526285817 CWJXBGTVEYYWHV-JOCHJYFZSA-N 493.443 3.867 10 10 JHCE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 727243919 KOFYGSGPWWBTNH-UHFFFAOYSA-N 478.617 3.523 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCN(C)C(C)C)[C@H](C)C1 1286870898 FCLHQNKZHSZUFH-OAQYLSRUSA-N 477.657 3.750 10 10 JHCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCn1ccnc1C 1705622862 XNJDGJLGXHGLNJ-UHFFFAOYSA-N 457.582 3.644 10 10 JHCE COc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1858074966 YOBWNSPQSCZOEN-HXUWFJFHSA-N 452.020 3.920 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4CCc5ccccc5C4)n4ccccc34)CC2)cc1 1858223977 JUXPHUHZDWYXBP-UHFFFAOYSA-N 495.583 3.504 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 1859006718 JMAPTLOZFGGVFG-UHFFFAOYSA-N 497.617 3.621 10 10 JHCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4)cs2)cc1 1859573690 XWJSWRAYVYEDPO-UHFFFAOYSA-N 456.549 3.799 10 10 JHCE Cc1noc(C)c1CNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344731 BVDWHSXSTCSTKU-UHFFFAOYSA-N 467.529 3.886 10 10 JHCE CCN(CC)CCCNC(=O)Cn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860347256 FIPIVSBXVWEKNO-MHZLTWQESA-N 473.621 3.636 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)ccc21 1860605063 SVHIFVJJDQFXII-UHFFFAOYSA-N 483.480 3.861 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCCCN2CCCC2)sc(C)c1-c1ccc(F)cc1 1860759276 RPSRLRAVJHWVJM-UHFFFAOYSA-N 475.586 3.970 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864020023 ULIYFIZDINXYDE-QFIPXVFZSA-N 486.528 3.509 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865028952 BXWTYDYQZAVXOQ-NRFANRHFSA-N 462.550 3.799 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)Oc4ccccc4C(C)C)n(C)n3)CC2)cc1 1869969065 CBLAVFWYYXSJRL-IBGZPJMESA-N 478.597 3.680 10 10 JHCE CCCCOC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870763271 CHANXJRYLOWBNK-UHFFFAOYSA-N 499.652 3.947 10 10 JHCE COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@@H]3C=Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1 2313626218 IXJIORVRZSWRLY-WXFUMESZSA-N 479.488 3.731 10 10 JHCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1O 2314837010 MXSDSQROGKIOSU-CYBMUJFWSA-N 458.561 3.946 10 10 JHCE CCOc1ccccc1OCCN1C(=O)C(=C2SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 2326945010 LGQVJIHPTUQETF-UHFFFAOYSA-N 498.582 3.557 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 15038025 GZNCJVWLIBRJGU-PDGQHHTCSA-N 472.544 3.719 10 10 JHCE O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 65314185 OWNPXWOVPHSXRA-VWLOTQADSA-N 485.632 3.815 10 10 JHCE CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 95928674 QLFZVABGKCAIIG-JKJUGIAJSA-N 493.545 3.750 10 10 JHCE O=C(c1cc2ccccc2c(CN2CCN(C/C=C\c3ccccc3)CC2)c1O)N1CCOCC1 96658654 UFUTWDSLMGWGKL-TWGQIWQCSA-N 471.601 3.849 10 10 JHCE CN(C)CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(F)cc1 586203307 NHZFMPFUMOQDFB-UHFFFAOYSA-N 466.534 3.748 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)C/C=C\c3ccc(Br)cc3)cc2)CC1 1625198328 DRZUYCHECROIFP-IHWYPQMZSA-N 456.384 3.837 10 10 JHCE CCC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862182817 QXVFAFVMGVEQDV-HSZRJFAPSA-N 488.028 3.978 10 10 JHCE CCOC(=O)[C@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)C)n2)C1 1867950664 GWIQBRPBIPQUPE-FQEVSTJZSA-N 467.614 3.715 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)CCOc4ccccc4)n(C(C)(C)C)n3)CC2)cc1 1869971153 ZOHMGWUXYNQHKN-UHFFFAOYSA-N 478.597 3.776 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nonc3OCc3c(Cl)cccc3Cl)CC2)cc1 1872673265 QESITQFVFSJUER-UHFFFAOYSA-N 463.321 3.926 10 10 JHCE CC[C@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2296714394 UYFSWTBCISEURS-INIZCTEOSA-N 479.627 3.762 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1C=Cc1ccccc1 2296751832 AAXNSNCLZXZSSA-JOCHJYFZSA-N 473.598 3.529 10 10 JHCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c(OC)c1 2297352786 WICGBDZJACXWJW-UHFFFAOYSA-N 478.578 3.784 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OC 2313549377 UVMHIWJDTPNKEY-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE O=C(O)CN1C(=O)/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 3044229 JZUPCAUCPGNSHJ-CHHVJCJISA-N 461.433 3.581 10 10 JHCE Cc1cc(C(=O)COc2ccccc2Br)c(C)n1-c1ccc(S(N)(=O)=O)cc1 24880071 MMRWXVREHPGDQX-UHFFFAOYSA-N 463.353 3.766 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccccc3-c3nc(-c4ccccc4)no3)CC2)cc1 33307008 WYLUNHSQALLDPF-UHFFFAOYSA-N 476.558 3.923 10 10 JHCE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066466 VMWAWMVFHJCGBR-ZDLGFXPLSA-N 454.577 3.500 10 10 JHCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCc4ccccc4)[C@H]3C2)cc1 104916441 IISILOVLVSYYNH-IXCJQBJRSA-N 471.601 3.930 10 10 JHCE Cc1cc(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 110410658 GBBCROBALKMHQK-PMACEKPBSA-N 467.610 3.827 10 10 JHCE C[C@@H]1Oc2ccc(C(=O)COC(=O)c3ccc4c(c3Cl)C(=O)c3ccccc3C4=O)cc2NC1=O 728085377 GKANQVPYFKOAPE-LBPRGKRZSA-N 489.867 3.875 10 10 JHCE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 1083986882 MGZQWVRHKCMWDF-OVCLIPMQSA-N 465.259 3.997 10 10 JHCE COc1ccc2c(c1)c(/C=C1/SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C1=O)cn2C 1858592489 PTDMJWUAMIFAOX-DKLCPLSMSA-N 468.556 3.790 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@H]2c1ccc(O)c(O)c1 1864020932 IPTCPFBPJVXLDD-FQEVSTJZSA-N 482.968 3.931 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865031024 XGVYNWWAZNTWSQ-QRWLVFNGSA-N 454.571 3.610 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccn5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969383 XWNLIYJJWCNANI-UHFFFAOYSA-N 487.652 3.831 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccccc5C)CC4)nc(C)n3)CC2)cc1 1867990253 JDLMSIKZNUCGIM-UHFFFAOYSA-N 472.637 3.751 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(Cc3cccnc3)C2=O)cc1 1873165052 FZNYNTPOFOYOAI-UHFFFAOYSA-N 458.562 3.784 10 10 JHCE CC(C)(C)OC(=O)N[C@@]1(c2cc(Br)cc(Br)c2O)C[C@@H]1C(=O)O 1952774438 HMCCMMXCOSGLSX-RFAUZJTJSA-N 451.111 3.742 10 10 JHCE COc1ccccc1-c1nn(-c2ccccc2)cc1C=CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 2040438885 LEOQSOIJJGOCKK-VWLOTQADSA-N 480.524 3.841 10 10 JHCE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O 2294229292 HJAPCGKORQNTSV-UHFFFAOYSA-N 467.728 3.648 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc(OC)c1OC 2295914193 LAHFGVXTLPUMTL-UHFFFAOYSA-N 458.561 3.942 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1Cl 2296397970 KHYSTRQIRDHQHN-UHFFFAOYSA-N 466.833 3.973 10 10 JHCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNNc1nc(O)c2cc(Br)ccc2n1 2297511635 UHJRHNGZBHKXHC-UHFFFAOYSA-N 467.327 3.938 10 10 JHCE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)C2=O)cc1 2314832455 HKGSQBTYBDTENO-MRXNPFEDSA-N 458.948 3.882 10 10 JHCE COc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)SC2=S)cc1 2314837635 VEDGHXVXJXMSGU-LBPRGKRZSA-N 474.560 3.646 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)N(CCO)Cc1ccccc1 2314933931 FHKGDKRXZDITOQ-UHFFFAOYSA-N 492.569 3.900 10 10 JHCE Cc1ccc(CNC(=O)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C)c(O)c1Br 2380753850 KBLDGMIEOIXJCV-CYBMUJFWSA-N 463.309 3.595 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCC(=O)O)C2=O)ccc1O 15044861 PZTMJGKZNVJCHS-JXAWBTAJSA-N 480.608 3.534 10 10 JHCE COC(=O)c1c(OCc2cccs2)cc(=O)n2c1CCN(Cc1ccc3c(c1)CCCN3C)CC2 20601001 QPWIIQFZMCBVIA-UHFFFAOYSA-N 493.629 3.716 10 10 JHCE O=C(NN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)c1ccc(Br)cc1 40940391 WSOWZDWNFNTQFX-ZROIWOOFSA-N 464.322 3.904 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ncoc3-c3ccccc3C(=O)N3CCCC3)CC2)cc1 65079851 NUBPVXVYSCPTMB-UHFFFAOYSA-N 460.534 3.549 10 10 JHCE C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 205957806 WFNLACLGQBFSNN-RCCKNPSSSA-N 450.495 3.610 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4ccccc4F)c(O)n3)CC2)cc1 1858514948 FLJXRKBKEPDKGP-UHFFFAOYSA-N 468.554 3.746 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(-n5cccc5)cc4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970527 NAGOWFJAZYOWAJ-UHFFFAOYSA-N 499.619 3.833 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C(C)C)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970910 SLKSYVJZPOOMOQ-UHFFFAOYSA-N 454.962 3.850 10 10 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COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc4nc(C(C)C)[nH]c4c3)CC2)cc1 1862102303 XSUSJBZJCZQJSF-QHCPKHFHSA-N 493.633 3.559 10 10 JHCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011113 ZHTRQHMTDSWYQX-QHCPKHFHSA-N 476.577 3.621 10 10 JHCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@H](C)CC)[C@@H]2c1ccc(O)c(O)c1 1864017373 KPHPTYKWKGALJZ-QVKFZJNVSA-N 492.576 3.989 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864020985 JUZUXHZHEIWGIE-YWMUFLPLSA-N 468.598 3.902 10 10 JHCE CN(C)[C@H](C(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866696520 ATULTXLZJIFVHM-QHCPKHFHSA-N 469.541 3.598 10 10 JHCE Cc1cccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867823275 UVFREQAQTQLWHD-DEOSSOPVSA-N 450.627 3.913 10 10 JHCE CC[C@@H](NC(=O)c1ccccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867914356 FBOAUPMOFKVDKC-DNQXCXABSA-N 466.626 3.613 10 10 JHCE CCCC[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868778435 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3.773 10 10 JHCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012871 LHLUNYYWSZZINM-QFIPXVFZSA-N 476.577 3.823 10 10 JHCE C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)C1 1865031685 MBMCRLQALGXBHO-VWKPWSFCSA-N 474.561 3.697 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)N2CCCCC2)cc1 1866419232 BGPOBMIRUOXOSL-QFIPXVFZSA-N 454.521 3.829 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCc3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868716953 UYSYWGMUTWYNAW-MHZLTWQESA-N 497.636 3.525 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)(C)C)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970747 WSLHJYSIVOVKCM-UHFFFAOYSA-N 478.597 3.986 10 10 JHCE CC(C)C[C@@H]1NC(=O)c2ccccc2N(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 1874016948 IVEJMTRDDRDEQD-QFIPXVFZSA-N 495.535 3.592 10 10 JHCE O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2040470307 RISBZALGAXPXIW-UHFFFAOYSA-N 452.561 3.679 10 10 JHCE NC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccs3)S2)CC1 2053493948 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2313652957 SGHRQWIYDREXIF-UHFFFAOYSA-N 466.540 3.762 10 10 JHCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2314414102 PRJQYNVXQNEVIT-UHFFFAOYSA-N 472.636 3.985 10 10 JHCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2314541623 PDTOAXKUVPUHEU-QGZVFWFLSA-N 490.990 3.839 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1 2314929854 SSYBCNRMSYMUED-UHFFFAOYSA-N 459.545 3.855 10 10 JHCE CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c2ccccc21 103555717 MSVYXJJSIWBUND-STZFKDTASA-N 472.545 3.793 10 10 JHCE CC(=O)N1CCN(c2ccccc2CNC(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 1677890768 AAHGBMMGDHGOKN-UHFFFAOYSA-N 459.594 3.762 10 10 JHCE CCC[C@@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861949031 KTOIBRZXSXKNAT-HSZRJFAPSA-N 458.002 3.915 10 10 JHCE CCCC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862153188 MJBNAUUFJFXFJL-DEZWEULXSA-N 493.604 3.503 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864021508 PCANIZASYHSSRW-JOCHJYFZSA-N 492.576 3.532 10 10 JHCE O=C(CNC(=O)[C@H](Cc1ccccn1)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868137835 VQQUPPWLEFFMFH-XMMPIXPASA-N 489.531 3.938 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868847667 FEBRUEGXVSAEKB-QHCPKHFHSA-N 455.574 3.818 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4F)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651810 JVIGEHWMHYQTPN-UHFFFAOYSA-N 499.594 3.854 10 10 JHCE Cc1ccc(CN(C)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2)c(O)c1Br 2381129805 PHXZFLHPTLRXPE-AWEZNQCLSA-N 459.406 3.774 10 10 JHCE O=C(C(=O)c1ccc(I)cc1)c1ccc(I)cc1 16133845 PYWIIQJCCHOQSM-UHFFFAOYSA-N 462.024 3.961 10 10 JHCE CCOc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc(OCC)c1OCC 20603927 ORHAMHAVGFZYNL-QHCPKHFHSA-N 485.625 3.752 10 10 JHCE Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 33780932 QMGHSPLXHDRFQM-CJMVGXJBSA-N 470.620 3.738 10 10 JHCE CCOC(=O)c1sc2nc3c(c(-c4cc(OC)c(OC)cc4OC)c2c1N)CN(C)CC3 40570138 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1860587988 DNKDMACTEIUGJI-UHFFFAOYSA-N 468.509 3.962 10 10 JHCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CCCc3ccccc3)c3ccccc32)SC1=S 1860826280 CWNUDZXNMSSOJZ-VXPUYCOJSA-N 452.557 3.712 10 10 JHCE CC[C@H](NC(=O)COc1ccc(OC)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862172610 WAYURAGLUMEGTD-DEOSSOPVSA-N 497.636 3.624 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864007663 ROVJHXDILARORL-SFHVURJKSA-N 475.332 3.729 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864013070 PLDUOQJOHIHGSA-NRFANRHFSA-N 480.540 3.655 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018185 FDLQBTIVOJNMPH-QKKBWIMNSA-N 480.540 3.653 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1C 1865652031 OGMFGNHVMVNOBR-DEOSSOPVSA-N 487.604 3.572 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c2nccn2C)cc1 1865901892 HOCHFEAPFBPPQL-RUZDIDTESA-N 493.567 3.802 10 10 JHCE COc1cccc(OC)c1C(=O)NC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867363686 WRLORSOYNCUOKR-QFIPXVFZSA-N 496.652 3.622 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)n(C)n3)CC2)cc1 1869969183 IVNMHAGKSJCUHA-UHFFFAOYSA-N 484.988 3.600 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C2=O)cc1 2294093708 HGLXZNAPSUTBGF-UHFFFAOYSA-N 458.312 3.580 10 10 JHCE CCOc1cc(C=C2C(=O)NN(c3ccc(Cl)cc3)C2=O)cc(I)c1O 2297604743 CQZJGEKVVZJVDT-UHFFFAOYSA-N 484.677 3.510 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15038250 HRJYDQWHKSCIMG-WJDWOHSUSA-N 458.477 3.733 10 10 JHCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 20236543 BYRDHDDVVKTWCT-MSARIDDISA-N 463.490 3.920 10 10 JHCE Cc1cccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c1 20356550 LHLGPTQOEJGRQM-QFDSEOLMSA-N 462.579 3.938 10 10 JHCE O=C(CN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)Nc1ccc(F)cc1 33591576 QSJOKKUVNCLXOP-FVGNFYTDSA-N 497.573 3.561 10 10 JHCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990365 KJGFJECTICTEHN-IZQLPPHKSA-N 486.663 3.809 10 10 JHCE C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 253573136 RBFPFAZNUAKLKI-FBAPQVDSSA-N 451.478 3.938 10 10 JHCE CCN(CC)c1ccc(C=c2sc3nc(/C=C\c4ccc(OC)c(OC)c4)nn3c2=O)cc1 254738329 UVXQNPYZWYGCAG-VUBPNFDHSA-N 462.575 3.733 10 10 JHCE NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 728835784 KUZNXQCJWSZUBU-XMMPIXPASA-N 472.545 3.548 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3[nH]c4ccccc4c3Br)cc2)CC1 1138228866 MPMOJJMZVQKKBN-UHFFFAOYSA-N 455.356 3.529 10 10 JHCE CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)c(Cl)cc21 1212201635 GDDBPGNAHVSLDE-OAHLLOKOSA-N 450.004 3.533 10 10 JHCE CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 1760621916 KMBQPZHUSFSPLF-HCLVMJGWSA-N 486.636 3.507 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860748390 CCNQGJKIOAGJTE-UHFFFAOYSA-N 465.531 3.803 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864014097 NHHIXKXBOFSQFZ-UVFQYZLESA-N 454.571 3.656 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CC)CC)[C@H]2c1ccc(O)c(O)c1 1865031342 FDAZHRBHOFLBQR-FQEVSTJZSA-N 462.550 3.934 10 10 JHCE COC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)cc1 1866240601 SDVSHDMVVSRXAG-CYBMUJFWSA-N 463.515 3.837 10 10 JHCE Cc1nc2ccc(N3C[C@@H](C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)CC3=O)cc2s1 1866260165 VWOGVGJVAITAPY-UUOWRZLLSA-N 488.617 3.663 10 10 JHCE CC[C@@](C)(NC(=O)c1snc2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869054722 ONNJPMXKYYLLHE-XMMPIXPASA-N 452.580 3.552 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CC[C@H](c5ccc6c(c5)OCO6)C4)nc(C)n3)CC2)cc1 1869295932 GHZZJWDVOCKDCD-NRFANRHFSA-N 473.577 3.843 10 10 JHCE O=C(O)CCCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 15034408 JRHWKMUETSQIHJ-PDGQHHTCSA-N 474.535 3.909 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)NCCC4=CCCCC4)n3)CC2)cc1 33309951 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O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(-n2nnc3ccccc3c2=O)cc1 1874179359 AFAZUBWPYUQKMI-UHFFFAOYSA-N 472.460 3.808 10 10 JHCE COc1ccc(NC(=O)CN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2296881530 NACNJZDLRSYJOT-UHFFFAOYSA-N 474.560 3.561 10 10 JHCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(O)c(C(=O)O)c2)C1=O)C(=O)O 2314926212 DHJGXKFBOSXQET-HNNXBMFYSA-N 459.501 3.738 10 10 JHCE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2cc(O)ccc2O)cc1 20898608 AMJISXIYLMPLLU-HSZRJFAPSA-N 496.523 3.630 10 10 JHCE COc1ccc(CN2C(=O)N=C(O)/C(=C\NCCC3CCN(Cc4ccccc4)CC3)C2=O)cc1 102734274 BRVLPZVTDIJKEM-JJIBRWJFSA-N 476.577 3.890 10 10 JHCE CC(=O)N1CCC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2O)C1 1286860924 JKBDPQAXXSEMAE-KJXAQDMKSA-N 469.630 3.797 10 10 JHCE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C(N)=O)C1 1705940879 RTMKFHCWVHYVMN-IBGZPJMESA-N 450.612 3.583 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3C(=O)OC)C2)sc2c1CCCC2 1859478935 ODTVCPYJAAHRKN-AWEZNQCLSA-N 470.547 3.582 10 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COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1 102948146 ICFSGODBETXKSV-TZRRMPRUSA-N 497.503 3.707 10 10 JHCE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]32)cc1 248261368 WGQWYJITAQSODV-LMMUWCHVSA-N 455.599 3.590 10 10 JHCE CNS(=O)(=O)c1ccccc1N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 727824519 AIZBEYOCFQYXTL-UHFFFAOYSA-N 451.548 3.522 10 10 JHCE CCC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862264918 ZKWIRUJWIQTARE-VWLOTQADSA-N 460.578 3.733 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1862295320 RALLZHCYNRAPPJ-HHHXNRCGSA-N 487.600 3.708 10 10 JHCE CC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867347266 YXZOOEHSKKMOOM-DNQXCXABSA-N 454.590 3.744 10 10 JHCE CC(C)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2053512307 WFSZDCJAKFYRAN-UHFFFAOYSA-N 450.589 3.959 10 10 JHCE COc1cc(N)c(N2CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC2)cc1OC 2236202527 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UJVFIAOAPRTCAI-UHFFFAOYSA-N 478.599 3.705 10 10 JHCE CCCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 2297334346 AESLUGAGVAECHZ-UHFFFAOYSA-N 459.842 3.712 10 10 JHCE CSC1=NSC2=NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=N)N12 2297344986 DRJKVACDYYUVCJ-UHFFFAOYSA-N 472.573 3.702 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2313558052 RMLQRIHEUBVYTL-UHFFFAOYSA-N 491.431 3.988 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nnc(-n5c(C)ccc5C)s4)CC3)CC2)cc1 8912676 AXJXQWYKDSYWAQ-UHFFFAOYSA-N 480.638 3.519 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4C)o3)CC2)cc1 9693897 SKWIODKUEWYECK-UHFFFAOYSA-N 454.548 3.533 10 10 JHCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 33288625 IUMKAUDISQPJDU-JOCHJYFZSA-N 489.645 3.997 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3c(OC)cccc3OC)c3ccco3)CC2)cc1 38598183 JHQXPPHHFJBIFJ-NRFANRHFSA-N 465.550 3.599 10 10 JHCE CCOC(=O)C1=C(C(=O)OCC)C2(O[C@H]1c1ccc(Br)cc1)C(=O)c1ccccc1C2=O 59522603 BAGIFKYLPSOWMW-IBGZPJMESA-N 499.313 3.761 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)COc3c(C)cccc3C)C2=O)c1 62050445 SABGAGHJBPTJBU-CPNJWEJPSA-N 456.589 3.708 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 210698904 GZNCJVWLIBRJGU-LDADJPATSA-N 472.544 3.719 10 10 JHCE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2NC(=O)c2cc(O)c(O)c(O)c2)cc1 216610758 URQSKAOEOWBCKS-UHFFFAOYSA-N 452.419 3.843 10 10 JHCE COc1ccc(C)cc1C1(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCOCC1 725865819 PJLRLJSPEXLGNN-NRFANRHFSA-N 467.610 3.949 10 10 JHCE COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 784100106 WBEQPXFRRFQMEL-UHFFFAOYSA-N 486.369 3.611 10 10 JHCE Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(Cl)cc13)N[N@@H+](c1nc3ccccc3s1)C2=O 1082751774 JISGRJRKXWMFGV-UHFFFAOYSA-O 476.969 3.841 10 10 JHCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 1084399197 LMYIJPQRACQJKV-UDWIEESQSA-N 460.450 3.814 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(O[C@@H](C)c4ccccc4)nc3)cc2)CC1 1466882550 MNCJZVFAXPTITM-FQEVSTJZSA-N 458.562 3.820 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cc(Br)ccc4o3)cc2)CC1 1616252147 OUCLSFCIZYJPMV-UHFFFAOYSA-N 456.340 3.794 10 10 JHCE COc1cc2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2cc1OC 1866456706 PMFALTLYNQVCDS-UHFFFAOYSA-N 454.438 3.573 10 10 JHCE COc1cc(OC)c2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c2c1 1866472041 SMVDUECTEJQODR-HSZRJFAPSA-N 478.593 3.568 10 10 JHCE CCc1ccc(Nc2nc(=NCCCCCO)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871585267 UXPWOMUBWVXYLK-UHFFFAOYSA-N 491.640 3.509 10 10 JHCE CCOC(=O)c1sc(NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)nc1C 2296730318 VWCVXKXJAHRYBU-UHFFFAOYSA-N 479.580 3.997 10 10 JHCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccc5c(c4)OCO5)C3=O)c2C)cc1 2297560223 BUEUFCXHENMOAK-UHFFFAOYSA-N 457.486 3.793 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C=Cc3ccc(C)cc3)CC2)cc1 2328562115 GSHDCFBVDVTKNQ-NDEPHWFRSA-N 499.611 3.799 10 10 JHCE CCCC[C@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328592194 QORFAJGHSHZJKE-DEOSSOPVSA-N 480.565 3.640 10 10 JHCE Cc1ccc(CNC(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)c(O)c1Br 2381136191 BRXRVCVPNZBZNL-UHFFFAOYSA-N 456.362 3.874 10 10 JHCE Cc1cc(N)c(-n2cc3c(c2-c2cccc(Br)c2)c(=O)n(C)c(=O)n3C)cc1C 21150048 NWZFEBNVHNHPGA-UHFFFAOYSA-N 453.340 3.656 10 10 JHCE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 33470218 HWNFQXDYDOHRAZ-CPNJWEJPSA-N 474.652 3.522 10 10 JHCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 96450624 IJOUOMSXLRNKIK-CVFAXBIPSA-N 482.543 3.943 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)cc2C)CC1 1760578334 WWMVATHHTVZCDD-UHFFFAOYSA-N 466.655 3.800 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)CN(C)C)[C@H](C)C1 1760606796 LHVWLDKWGADSGQ-OAQYLSRUSA-N 491.684 3.997 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(OCC(C)C)cc3)CC2)cc1 1862262647 OHUSPGBHPOLDRU-RUZDIDTESA-N 499.677 3.930 10 10 JHCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864012695 HAZHXJHBHBMGGW-HXUWFJFHSA-N 482.968 3.779 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865030804 RMICDNHHKZGFLL-FOIQADDNSA-N 454.571 3.752 10 10 JHCE CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 2297298475 NDRUIKPYRWQVSH-UHFFFAOYSA-N 457.486 3.994 10 10 JHCE CC(Nc1ccc(S(N)(=O)=O)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313683274 WFNLACLGQBFSNN-UHFFFAOYSA-N 450.495 3.610 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2328567213 JWTDXICLWNDMMF-HSZRJFAPSA-N 453.970 3.702 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1 20208434 RVCZTSQWCKMPRI-FZKGXIISSA-N 493.364 3.720 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(C)cc1)C(=O)c1cccc(F)c1 35960326 NUXAVJRDEWZCMW-RUZDIDTESA-N 476.552 3.939 10 10 JHCE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152343 CHCMHFWYQJNIFR-FFCYNSPCSA-N 457.489 3.521 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCO)CC1 1722769295 HYFURSQJIGOJMP-UHFFFAOYSA-N 464.614 3.574 10 10 JHCE CCOc1cccc(CNCCC(=O)Nc2ccc(I)cc2F)c1O 1860710953 DUDMWFVAIRLRCV-UHFFFAOYSA-N 458.271 3.653 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011898 ZVOPBOYLSVROTM-QFIPXVFZSA-N 474.561 3.989 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865031022 XGVYNWWAZNTWSQ-FOIQADDNSA-N 454.571 3.610 10 10 JHCE COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1963399338 OPHFZCARMCDQMK-IBGZPJMESA-N 463.575 3.530 10 10 JHCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccccc2)c2ccccc12 2294581337 IKLLEPFCHMJQSG-UHFFFAOYSA-N 455.470 3.975 10 10 JHCE COc1cccc(C=C2SC(=S)N(CC(=O)NCCc3c[nH]c4ccccc34)C2=O)c1 2296885481 WUNGOWHMROPJLL-UHFFFAOYSA-N 451.573 3.737 10 10 JHCE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1 2314931384 NMBPAUAEQSYIRA-UHFFFAOYSA-N 462.936 3.740 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)C=Cc4ccco4)CC3)cccc21 2322083213 JYQZZLLVDXSILI-UHFFFAOYSA-N 454.482 3.946 10 10 JHCE Cc1ccc(CN(C)[C@@]2(C(=O)O)CCN(C(=O)OCc3ccccc3)C2)c(O)c1Br 2381129137 FTFUFQPWBDXRTN-QFIPXVFZSA-N 477.355 3.761 10 10 JHCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccc(Cl)cc1F 12801840 RXKUGTRHHFCTDU-CAOOACKPSA-N 464.927 3.839 10 10 JHCE O=C(O)CNC(=O)CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15038331 YIXFRCCEDRRFLJ-UNOMPAQXSA-N 450.541 3.785 10 10 JHCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1 16908201 NQHWYNARJONELT-MHWRWJLKSA-N 462.936 3.740 10 10 JHCE COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 20356690 MULBCSOXTQSCHH-BVDVPRQSSA-N 498.996 3.665 10 10 JHCE COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(c2ccc(C)c(C)c2)C(=S)N=C1O 33314270 VEHCUHJNDQTZCK-MOSHPQCFSA-N 451.548 3.820 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc(I)c1O 38162536 OIIIHWPVBUHYFU-GHXNOFRVSA-N 464.215 3.512 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 47152236 KMBRLZAKOWROEG-PDGQHHTCSA-N 473.532 3.929 10 10 JHCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccccc4OC)ncn3)CC2)cc1 65133700 NVVHDMHZRJEGGX-UHFFFAOYSA-N 465.579 3.551 10 10 JHCE Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)c1 96460967 WIBRJRKCNFPFKO-ODXNEQJUSA-N 469.592 3.802 10 10 JHCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 104218398 SBTOYRGMOZNFFE-XSFVSMFZSA-N 496.932 3.720 10 10 JHCE CCCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861917503 SYLDEOJLEXJPEU-NRFANRHFSA-N 488.972 3.894 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864010123 PUOAOJDBXAZOIE-OAQYLSRUSA-N 482.968 3.923 10 10 JHCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864016511 QUQPYZWHKKFQRJ-QFIPXVFZSA-N 482.540 3.818 10 10 JHCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccccc3)C2)n1 1869115506 YEBVMTRTHONZSD-VWLOTQADSA-N 489.620 3.579 10 10 JHCE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)=C[C@@H]1O 2201002219 CVBRGRFJNRFKLS-PXNSSMCTSA-N 473.570 3.749 10 10 JHCE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 2313557339 AOQIJEWNDRJIEO-UHFFFAOYSA-N 463.259 3.662 10 10 JHCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCCO)nc3ccc(C)cn3c2=O)SC1=S 2314414958 SGSTVYFAPZYAJE-INIZCTEOSA-N 474.652 3.825 10 10 JHCE CCSc1nnc(NC(=O)CCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)s1 2314578207 HBYNIELAEJTYIZ-UHFFFAOYSA-N 466.635 3.889 10 10 JHCE C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O)C(=O)O 2314930809 JNOMLFJVOBSMFW-NSHDSACASA-N 462.936 3.738 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1C(=O)O 2314936160 WDADHQPZMLOZPF-UHFFFAOYSA-N 494.497 3.922 10 10 JHCE Cc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)NCc4ccco4)c4ccccc34)C(=O)NC2=S)c1 6188493 CRJLOYMPGJWXJU-XKZIYDEJSA-N 498.564 3.690 10 10 JHCE COc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 15046710 XZGFDFNVVKDPPQ-QXGSTRBFSA-N 458.561 3.941 10 10 JHCE COc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)Cn1nc(C)c2ccccc2c1=O 19855503 OBXIOUPVJCWBIU-UHFFFAOYSA-N 494.555 3.722 10 10 JHCE CCN(CC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33383966 NJHUHTPQFUALKE-XDHOZWIPSA-N 494.598 3.671 10 10 JHCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 33811838 DTCKTJXEENJZIW-VJOZSWGJSA-N 488.679 3.820 10 10 JHCE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 39835645 QXLVPDXLVBDHEU-GHRIWEEISA-N 481.555 3.725 10 10 JHCE COc1ccc2[nH]cc(CCNC(=O)CCN3C(=O)/C(=C/c4ccco4)SC3=S)c2c1 95927176 KJORCOQPBGFGIB-UNOMPAQXSA-N 455.561 3.720 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3cc(Cl)ccc3SC)CC2)cc1 1861898133 LVOLBNRJEHDFRD-UHFFFAOYSA-N 476.042 3.857 10 10 JHCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864011650 XAMGYJOCGQRMDV-QHCPKHFHSA-N 468.513 3.718 10 10 JHCE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864018823 RINHFIXVNPISQX-HXUWFJFHSA-N 498.942 3.671 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865025593 AEQRTTMJIUUISG-WNSKOXEYSA-N 492.551 3.886 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)nc4)n(-c4ccccc4)n3)CC2)cc1 1869970474 KHMUJRFRUZNAJE-UHFFFAOYSA-N 489.967 3.903 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C(=O)NC2=S)cc1 2297556164 JACYDGHOAFGDPQ-UHFFFAOYSA-N 488.521 3.804 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400925 RHWCTZNBDCJFQA-IYBDPMFKSA-N 472.636 3.700 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OCCOc1ccccc1 20356214 ZDHVGABMXRIPGC-BQFUFWTISA-N 491.573 3.825 10 10 JHCE O=C(O)c1ccccc1C(=O)Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O 39899558 WFVJZCPZPMXREO-UHFFFAOYSA-N 494.253 3.873 10 10 JHCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)c(OC)c1 96912473 MWDQQTFRYNGWEN-MFVBVHDHSA-N 463.446 3.811 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCc1nnc(-c2ccccc2)o1 206725989 PCIQSUDITIEXBM-NBVRZTHBSA-N 482.562 3.826 10 10 JHCE CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc12 1860251906 ARVGZSNXBVKGPI-GOSISDBHSA-N 450.535 3.870 10 10 JHCE CCCC[C@@H](NC(=O)COc1ccccc1CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862279727 SEFARFIQSYPGTQ-XMMPIXPASA-N 467.610 3.660 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864017083 FBBODCLLDWEDGR-HXUWFJFHSA-N 478.549 3.601 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865027404 XQIMOOXBLLZENZ-NRFANRHFSA-N 482.968 3.867 10 10 JHCE CC[C@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867333659 XDHVOBNVHPSEMY-DQEYMECFSA-N 450.627 3.913 10 10 JHCE CCOc1ccc(-c2nc(N3CCN(C)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867997444 XOKVGVJSKWRSOS-UHFFFAOYSA-N 488.636 3.629 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1 1868583280 MPIPRSOQWUTCDM-RUZDIDTESA-N 494.661 3.696 10 10 JHCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccc(Cl)cc1[N+](=O)[O-] 2053498315 KZYNAMIOVVPPQV-UHFFFAOYSA-N 491.934 3.608 10 10 JHCE COc1ccc(S(=O)(=O)Oc2c(Cl)cc(C=C3SC(=S)N(C)C3=O)cc2OC)cc1 2297499293 PCVCOHZJDPRXEB-UHFFFAOYSA-N 485.992 3.956 10 10 JHCE CC1=NN(c2ccc(Br)cc2C)C(=O)C1=Cc1c(O)nc(O)n(-c2cccc(C)c2)c1=O 2297533510 HOZDBOWDQWEKSQ-UHFFFAOYSA-N 495.333 3.829 10 10 JHCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCCN2CCOCC2)cc1 2313683224 UXPXEZRQALBZRH-UHFFFAOYSA-N 491.617 3.642 10 10 JHCE CCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2314414840 OFPDEZDWBTZSGA-UHFFFAOYSA-N 450.589 3.879 10 10 JHCE Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c1 62694335 ACFKEPOEFCXXJA-UHFFFAOYSA-N 465.619 3.900 10 10 JHCE COc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1C 62694378 VVAYHFVROHLQJN-UHFFFAOYSA-N 495.645 3.909 10 10 JHCE COC(=O)c1c(C)sc(-c2c(-c3ccc4ccccc4c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 86076750 KEGJSXCQCPQVGU-UHFFFAOYSA-N 475.526 3.915 10 10 JHCE CC(C)c1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 96459970 NJPVBFCVIMJYTH-YFGLPBLDSA-N 496.570 3.650 10 10 JHCE CCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 103473348 WRUYMTZCFQGSDA-KDAGATOZSA-N 454.533 3.792 10 10 JHCE Cc1ccc(CN2C(=O)/C(=C/c3nc(C#N)c(N4C[C@H](C)O[C@H](C)C4)o3)SC2=S)cc1 213215578 CHDUEKMWYYWSCQ-SFQJTKECSA-N 454.577 3.870 10 10 JHCE CN(C)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1Cl 586225510 FSBADQJRSKAEEO-UHFFFAOYSA-N 468.962 3.872 10 10 JHCE CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl 1084246483 UANPIVUIGQISJG-GHXNOFRVSA-N 497.331 3.906 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCCO)[C@H](C)C1 1301714033 UHFDJQKZILXHAL-OAQYLSRUSA-N 478.641 3.962 10 10 JHCE COc1cc(CNCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(Br)c1O 1860717930 NTROIZNIXGWQSW-UHFFFAOYSA-N 495.329 3.667 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008575 NFNRPADFAHJWEI-YUNKPMOVSA-N 468.941 3.855 10 10 JHCE COc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2293615641 UFQGPQYKGOQUDV-UHFFFAOYSA-N 485.496 3.984 10 10 JHCE COc1cc(Br)c(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC 2294217001 XNVVVXOSEUELLY-UHFFFAOYSA-N 475.364 3.914 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1cccc(C)c1 2296566788 HYIQAHNNTPBWEZ-UHFFFAOYSA-N 476.485 3.716 10 10 JHCE CC(C)[C@@H](NC(=O)c1ccc(C=C2SC(=S)N(C)C2=O)cc1)C(=O)Nc1ccc(O)cc1 2297580262 QVJPRUHOPCMDPS-LJQANCHMSA-N 469.588 3.616 10 10 JHCE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 2313541516 MIAAHODOMJOBRV-UHFFFAOYSA-N 491.569 3.951 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1 2313548355 SZRXAVXJGUDRNW-UHFFFAOYSA-N 459.506 3.526 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2313558507 CJZKBCPUNUTLJJ-UHFFFAOYSA-N 463.490 3.763 10 10 JHCE CCOc1ccc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OC 2323812673 SIYRGGXHRLUOQV-INIZCTEOSA-N 459.545 3.697 10 10 JHCE O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccccc1 1112197 JYFIUASCULFDJG-UNOMPAQXSA-N 491.887 3.730 10 10 JHCE C[C@@H](NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(=O)O 15045022 SWSYHEVRUMICSC-QJMZJAKPSA-N 485.425 3.800 10 10 JHCE O=C1N=C(N2CCN(C3=NC(=O)/C(=C\c4ccccc4)S3)CC2)S/C1=C/c1ccccc1 34847763 CKLVTQYQUQHUQU-MXWIWYRXSA-N 460.584 3.945 10 10 JHCE Cc1ccc2nc(NCCCO)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1 97453571 RHOGTIGHHOMPPT-HMMYKYKNSA-N 494.642 3.631 10 10 JHCE CC(=O)[C@H]1CC(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)=NN1c1ccccc1 1126657647 LAHUZVDBPZKGNH-VGOFRKELSA-N 456.493 3.597 10 10 JHCE CCCC[C@@H](NC(=O)c1ccc2nc(C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862104601 HPNPXMYNWOFWJP-HSZRJFAPSA-N 463.582 3.517 10 10 JHCE CC[C@@H](NC(=O)COc1ccc(C)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862173077 XKLHMAZYJAJRRG-XMMPIXPASA-N 481.637 3.924 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864013776 FZOYMTSXNXVAAJ-JOCHJYFZSA-N 499.656 3.590 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864018352 JBLKPEHKDZMLSR-FQEVSTJZSA-N 482.968 3.779 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022194 VPQCDUZAEKUZFL-OYHNWAKOSA-N 492.576 3.847 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033616 DSKBYTRXENJDHO-MLGOLLRUSA-N 480.487 3.676 10 10 JHCE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079862780 QGJJLXJOCATWMS-CYBMUJFWSA-N 470.229 3.958 10 10 JHCE C[C@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1ccc(O)cc1O 2084895848 CTFHUDAKCSUAOV-HNNXBMFYSA-N 453.580 3.947 10 10 JHCE Cc1nnc(NC(=O)COc2ccc(C=C3SC(=S)N(Cc4ccco4)C3=O)cc2)s1 2314488643 LXRGCMGHKBINFU-UHFFFAOYSA-N 472.573 3.858 10 10 JHCE CC(C)(C)c1ccc(C(=O)NN2C(=O)C(=Cc3ccc(OCC(=O)O)cc3)SC2=S)cc1 2314929270 KEJBYQHWCVYQLL-UHFFFAOYSA-N 470.572 3.994 10 10 JHCE CCCC[C@H](NC(=O)C=Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328573807 RCJUKBSFVZVPHU-DEOSSOPVSA-N 453.558 3.871 10 10 JHCE CN(C)c1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 8589087 IVGRZVBGHGFPER-UHFFFAOYSA-N 451.530 3.694 10 10 JHCE N=C1/C(=C\c2cccn2CCCOc2ccccc2Cl)C(=O)N=C2SC(N3CCOCC3)=NN12 20356697 YUEAECVNYBCIGB-WGMCGLNDSA-N 498.996 3.519 10 10 JHCE CCOCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccc(C)cn3c2=O)SC1=S 33533265 XKPZCEYMZFMBKZ-LDADJPATSA-N 484.603 3.836 10 10 JHCE O=C1[C@@H]2[C@H](/C=C\c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)cc1 254401861 YRZXQCGDZQBCQW-KBKDLEKSSA-N 467.452 3.862 10 10 JHCE CC[C@H](Oc1ccccc1/C=C1/SC(=S)N([C@H](CCSC)C(=O)O)C1=O)C(C)=O 1614236821 SBGSVXVJKBXNNY-NIRMRBTQSA-N 453.607 3.841 10 10 JHCE CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-n4c(C)cc(C=O)c4C)cc3)cc2)CC1 1636165993 SCYDEMWXVWIINS-UHFFFAOYSA-N 458.562 3.756 10 10 JHCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1860743162 YLARMKAMQNJCJE-UHFFFAOYSA-N 496.498 3.822 10 10 JHCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864009087 ZCEXOOIILSYHTB-OAQYLSRUSA-N 480.952 3.999 10 10 JHCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)c1 1864010100 PHBWGMIWENJLEW-HSZRJFAPSA-N 476.577 3.887 10 10 JHCE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015133 JZKIYHQDDWTYSC-QGZVFWFLSA-N 488.466 3.769 10 10 JHCE CCCC[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868778436 LPODLEQWVMIQPW-QHCPKHFHSA-N 489.620 3.858 10 10 JHCE CCOC(=O)c1c(C)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2079977843 RQRMCWRSJMZWQZ-INIZCTEOSA-N 456.280 3.686 10 10 JHCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1O 2109467504 BJAFYNHWBVNPTI-HMXCVIKNSA-N 461.603 3.881 10 10 JHCE CCOc1cc(C=C2C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(C)(=O)=O 2296394060 NPUNVBDLXHBESG-UHFFFAOYSA-N 469.544 3.728 10 10 JHCE COc1ccc(OC)c(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 2296715364 UEYVSXWHKSHPIE-UHFFFAOYSA-N 467.572 3.907 10 10 JHCE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c1C 2297352721 PGOTVLSDYUUAMN-UHFFFAOYSA-N 462.579 3.620 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 2297365167 FXCGQHBSLDZMEG-UHFFFAOYSA-N 453.252 3.609 10 10 JHCE CN1CCN(N2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccccc3)SC2=S)CC1 2314489825 TXBQPWYCMDISQF-UHFFFAOYSA-N 461.616 3.903 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2cc(C(=O)O)ccc2C(=O)O)C1=O 2314936471 YDYAWZHNZBPSNH-UHFFFAOYSA-N 482.539 3.869 10 10 JHCE CC(C)Oc1cccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 2323840741 QPEHGJBCPFGFBO-UHFFFAOYSA-N 462.618 3.565 10 10 JHCE COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2ccc(N4CCCC4)cc2)CC3)cc1 14742890 ZWJVEPJCVRGWMN-UHFFFAOYSA-N 476.621 3.767 10 10 JHCE CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]23)cc1 22754732 YELSCWIASXMNBH-TZRRMPRUSA-N 495.487 3.673 10 10 JHCE CCN1C(=O)/C(=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c2ccccc21 33890859 MNMIQJDTZORRKD-CZIZESTLSA-N 476.583 3.627 10 10 JHCE Cc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 33924351 KUUXSLALMQRSRE-CPNJWEJPSA-N 478.599 3.633 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c(C)n1-c1ccc(F)cc1 62694829 NJBYLGJBJTXOSV-UHFFFAOYSA-N 495.620 3.911 10 10 JHCE CN1C(=O)/C(=C\c2cc(Br)cc(I)c2O)SC1=S 96577022 FSEIQTSEQDDLHK-FPYGCLRLSA-N 456.124 3.590 10 10 JHCE Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 1084475919 WUJBNPHXBYFGRL-WJDWOHSUSA-N 450.447 3.924 10 10 JHCE CC(C)SCC(=O)N1CCN(Cc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)CC1 1860835631 MDJXALZKQQVCHJ-UHFFFAOYSA-N 454.640 3.791 10 10 JHCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864007539 PDYPXDUCGSEARA-QHCPKHFHSA-N 492.576 3.610 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864011891 MIHOPAYQKKHKFL-OAQYLSRUSA-N 482.968 3.915 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccc(C)cc3)n4C)CC2)cc1 1873568014 JVKPZWMDMICUNG-UHFFFAOYSA-N 470.577 3.542 10 10 JHCE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2040498935 QNSVPCFXNTYNPF-UHFFFAOYSA-N 472.636 3.985 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)c1 2294046410 KZDRVMQOAFAIOP-UHFFFAOYSA-N 472.501 3.663 10 10 JHCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 2297330300 KSKUPAHHTFCGLE-UHFFFAOYSA-N 466.475 3.617 10 10 JHCE CC(=O)Nc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C)SC4=NC3=O)cc2)cc1 2297347362 YYVHZZVNUYVPDQ-UHFFFAOYSA-N 463.519 3.742 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3C(=O)O)CC2)cc1 33253120 IVGMSIAFWKCHDZ-UHFFFAOYSA-N 481.574 3.829 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnn(CC(C)C)c3-c3ccccc3)cc2)CC1 1616252484 RIFDGTZOFSORLO-UHFFFAOYSA-N 459.594 3.805 10 10 JHCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC=C(COC)CC1 1705930329 KYFLXBWDCNUPPA-UHFFFAOYSA-N 495.649 3.736 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc3nc(O)oc3c2)nc1-c1ccc2c(c1)[C@@H](C)C(=O)N2 1859573398 JKGMPHWTZNWKOV-SECBINFHSA-N 456.505 3.822 10 10 JHCE CCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864015728 DPJYXZKHZGSVRV-FQEVSTJZSA-N 462.550 3.889 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864016481 PWOKDRIVTDNTKB-HXUWFJFHSA-N 488.569 3.613 10 10 JHCE C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866937056 SSEBNMZDALHPFL-SZFUDVHCSA-N 456.473 3.848 10 10 JHCE CC[C@](C)(NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868762704 DXFFLLPOMIJNKQ-SIBVEZHUSA-N 455.574 3.647 10 10 JHCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871547900 HRPKPJAQVILFOH-UHFFFAOYSA-N 461.614 3.623 10 10 JHCE CCCCCCN1C(=O)C(NCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170453 ZXXYPPFXZZMQSR-UHFFFAOYSA-N 478.637 3.676 10 10 JHCE Cc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(C(N)=O)c2I)c(O)c1 2079015967 CXMTWHWSSZKTQZ-HNNXBMFYSA-N 453.324 3.898 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1 2293993127 GZNZALRLYOUGOG-UHFFFAOYSA-N 470.481 3.967 10 10 JHCE CCOc1cc(C=C2C(=O)NN(c3cccc(Cl)c3)C2=O)cc(I)c1O 2296737736 GRWVCSCYMBUFDZ-UHFFFAOYSA-N 484.677 3.510 10 10 JHCE COc1cc(OC)c(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br 15010440 NOFKWEGWDKHWOR-QPEQYQDCSA-N 481.755 3.951 10 10 JHCE CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O)=C\c1ccccc1 28287156 UHZKDCBTVCRJKE-FQHLDWHWSA-N 487.628 3.510 10 10 JHCE CCN1CCN(c2c(CN(CCOC)Cc3cccc(F)c3O)c(C)nn2-c2ccc(F)cc2)CC1 34836446 FMDDQIHWMREDJJ-UHFFFAOYSA-N 499.606 3.955 10 10 JHCE O=C(NN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S)c1ccc(Br)cc1 40844957 JUKKXHAAJIDXAH-ZROIWOOFSA-N 463.334 3.694 10 10 JHCE CCN(CC)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(C)cc4)NN32)cc1 588226604 ZSMNXHANFKAFEH-SANMLTNESA-N 483.641 3.918 10 10 JHCE CCOC(=O)C(/N=N/c1ccc(S(=O)(=O)N[C@@H]2N=CCC(C)=N2)cc1)=C(/O)c1ccccc1 1616046018 MFUFTRAEVVGODW-ZBTXCZMYSA-N 469.523 3.758 10 10 JHCE CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCCSc2nccs2)[C@H](C)C1 1749869019 RUTWNCGHNHTJGF-GOSISDBHSA-N 470.668 3.873 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)c1OC 1860085522 POPRYRVAXUMILE-HMMYKYKNSA-N 455.605 3.861 10 10 JHCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864013176 RRRJUCPAHUTURB-JOCHJYFZSA-N 476.577 3.618 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3ccc(OC(F)(F)F)cc3c2=O)c2nccn2C)cc1 1866462648 JXFAEYNMIMVNBR-FQEVSTJZSA-N 485.466 3.746 10 10 JHCE CCCCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873544012 MSBVHPAJVZTFNH-UHFFFAOYSA-N 450.587 3.566 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccccc3Cl)n4C)CC2)cc1 1873565288 WQWCCCIASZFMGG-UHFFFAOYSA-N 490.995 3.887 10 10 JHCE COc1ccc([C@H](C2CCC2)n2nc(C3CCC3)c(C(N)=O)c2I)c(O)c1 2080024826 LCTHCCISGRTESQ-SFHVURJKSA-N 481.334 3.958 10 10 JHCE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1 2297349725 YUSFBWXSVZMIPE-UHFFFAOYSA-N 468.600 3.814 10 10 JHCE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NCc1cc(OC(F)(F)F)ccc1O 2335910379 UBFCIJYBDSSGEJ-UHFFFAOYSA-N 479.496 3.798 10 10 JHCE O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3 2457288 BBPLHURIVUXONI-UHFFFAOYSA-N 463.490 3.659 10 10 JHCE COc1cccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)COc2ccccc2)[C@@H]3O)c1O 12099847 AWMHYMMRFCYOLW-IAPPQJPRSA-N 488.584 3.545 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33436338 VDXHJYAKRLDYAR-KNTRCKAVSA-N 480.615 3.587 10 10 JHCE Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 33478961 JQPZHTGURPMPEV-JOCHJYFZSA-N 458.624 3.779 10 10 JHCE N=C1/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 103125234 ADUORGRYVJCJPM-SZRLJQQQSA-N 491.529 3.667 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 254615549 ODIQKTFBQWJCEV-VWLOTQADSA-N 489.641 3.988 10 10 JHCE O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1O 757271976 HYJZRFNWMNTMNM-HSZRJFAPSA-N 474.513 3.781 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864019334 IWZVNOSOAWSWBL-IBGZPJMESA-N 468.941 3.720 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@H]2c1ccc(O)c(O)c1 1865026884 SDHQLYCJSCJDOB-AUYISRGKSA-N 466.582 3.744 10 10 JHCE COC(=O)c1c(NC(=O)c2cc(O)nc(O)n2)sc(C)c1-c1ccc(Br)cc1 1865981723 LPFVVFXAGCSJEP-UHFFFAOYSA-N 464.297 3.726 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871517097 IVBBWSKRPNDAQC-UHFFFAOYSA-N 465.577 3.969 10 10 JHCE CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874018014 GSOISDDXJUUYOP-JOCHJYFZSA-N 476.554 3.856 10 10 JHCE COc1c(Br)cc(C=C2SC(N3CCOCC3)=NC2=O)cc1Br 2293798375 IZVPAQNPSQCARF-UHFFFAOYSA-N 462.163 3.523 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347342 QLFZVABGKCAIIG-UHFFFAOYSA-N 493.545 3.750 10 10 JHCE COC(=O)CN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2297465492 NYBSLESVMQDUHC-UHFFFAOYSA-N 458.948 3.631 10 10 JHCE COCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2314414688 JANJGKRSLBBXEB-UHFFFAOYSA-N 472.636 3.841 10 10 JHCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 2314767795 IPMKIPMVNVEYDX-OAQYLSRUSA-N 484.599 3.961 10 10 JHCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)C1(NC(=O)OC(C)(C)C)CCOCC1 2366999846 JODKKVMWKHQSJL-HXUWFJFHSA-N 478.634 3.549 10 10 JHCE Cc1cccc(N2C(=O)c3ccc(C(=O)NC4=NN(c5ccccc5)C(=O)C4)cc3C2=O)c1C 8906553 HOZAPMMXAVOJGF-UHFFFAOYSA-N 452.470 3.584 10 10 JHCE Cc1cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1 9014710 GWMIJLANRBTYEY-UHFFFAOYSA-N 480.586 3.921 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c(Br)cc1O 20227996 TUWYEIXANPOUDR-POHAHGRESA-N 451.273 3.974 10 10 JHCE COc1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1 46145420 OHUXFEIWJUNXMG-UHFFFAOYSA-N 467.591 3.686 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 54310879 DNWJWNZKCKPRBW-FQEVSTJZSA-N 465.015 3.781 10 10 JHCE CCOC(=O)[C@@H](C(C)=O)[C@@H](c1ccc(I)cc1)C1C(=O)c2ccccc2C1=O 105679374 TYAGJHXRGOEUDJ-ZWKOTPCHSA-N 490.293 3.839 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@H](NC(C)=O)CCO4)cs2)cc1 170549513 UYBKAQHWTJUHCG-GOSISDBHSA-N 459.549 3.579 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)NCCc3ccc(-c4csc(C)n4)s3)CC2)cc1 742947444 FZQQINVBZNLKAB-UHFFFAOYSA-N 485.679 3.853 10 10 JHCE Cc1ccc(N2C(=O)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)cc1C 1084115614 MLTGDUCFITZNOP-MTJSOVHGSA-N 475.530 3.845 10 10 JHCE CCCc1ccc(OCC(=O)N[C@H](CCC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862197368 OXBZINGTDQLCEG-RUZDIDTESA-N 467.610 3.660 10 10 JHCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCC(C)C)[C@@H]3c2ccc(O)c(O)c2)c1 1864012346 YAQMOAIJKQOALO-HSZRJFAPSA-N 476.577 3.735 10 10 JHCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865028493 WDSAHFUGEXKHGX-QHCPKHFHSA-N 476.577 3.994 10 10 JHCE CCOc1cccc2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866427133 NPKCRHMIVJYQIK-HSZRJFAPSA-N 462.594 3.950 10 10 JHCE CC(=O)NCCN1C(=O)C(Nc2ccc(F)cc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422111 HAMIAOMQGJSLOI-UHFFFAOYSA-N 478.499 3.700 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1 2294095402 QSKHLBWKRBWAMM-UHFFFAOYSA-N 460.417 3.769 10 10 JHCE O=C1NN(c2ccc(I)cc2)C(=O)C1=Cc1ccc(Br)cc1 2297320245 KOQNDFCOEBQNAJ-UHFFFAOYSA-N 469.076 3.515 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650349 AXCAIZWRMSDZAM-CQSZACIVSA-N 454.621 3.936 10 10 JHCE COC(=O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 1221228 XNUYCQSEJJPXCW-XNTDXEJSSA-N 477.361 3.782 10 10 JHCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1O 15045911 MXSDSQROGKIOSU-FHNWIRHTSA-N 458.561 3.946 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3cccc(F)c3)c3ccc4c(c3)OCO4)CC2)cc1 16953877 ZTEXDPFAAIOZME-XMMPIXPASA-N 477.536 3.856 10 10 JHCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 33528774 ISFOXFAJXZCKHS-SUCHYCSPSA-N 458.609 3.677 10 10 JHCE Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@H]23)c1 104896076 XJTBZINIILWAFX-FDFHNCONSA-N 455.441 3.829 10 10 JHCE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC[C@@H](c3ccco3)N(C)C)C2=O)cc1 205607296 UKLPOFVRNHJRQI-OFBHVFLISA-N 457.621 3.989 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc(C(N)=O)cc4)c4ccccc34)[C@@H]21 1860345009 NHMCVAQWHOTKEI-MUUNZHRXSA-N 493.567 3.916 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033542 BXLUMXCEMYLRMM-OZVIIMIRSA-N 480.487 3.532 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCCCCO)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871528927 WUBBEYITNFGNSV-UHFFFAOYSA-N 491.640 3.564 10 10 JHCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccc(C(=O)O)o4)c4ccccc34)C2=O)cc1 9265494 OLBBIYHSQCOBGD-NDENLUEZSA-N 485.452 3.656 10 10 JHCE CC(C)CC(=O)NN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 40844960 HLUBXQCMAIHPLZ-FMQUCBEESA-N 451.573 3.882 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2c(C)cccc2C)[C@H]2CCS(=O)(=O)C2)cc1 54310883 WBNBLTFJYDMLDJ-QHCPKHFHSA-N 458.624 3.744 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c(C)n1-c1ccccc1 62694411 AXRCWTDWVPBNHK-UHFFFAOYSA-N 469.582 3.564 10 10 JHCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 65314188 RRKSDIUPNBZZNO-VWLOTQADSA-N 485.632 3.767 10 10 JHCE Cc1cccc(Cn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)c1 96459703 HCWJNZLHXZXPJY-KKVJOTPGSA-N 477.571 3.619 10 10 JHCE O=C(Nc1cccc(C(=O)N2CCCNCC2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586717897 IRFDJMICXZUIOZ-UHFFFAOYSA-N 468.513 3.542 10 10 JHCE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705686752 JRPXUVWFFPDJRE-UHFFFAOYSA-N 461.339 3.656 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 1858960421 RCVBJAOZNZGNQJ-UHFFFAOYSA-N 493.463 3.695 10 10 JHCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864010855 PRNUVNJYEBGTIU-NYHFZMIOSA-N 492.576 3.854 10 10 JHCE CCCCCCNC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873850148 HZQHYPNNQVNTRW-UHFFFAOYSA-N 451.475 3.623 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCCC(=O)NCCc3ccc(O)cc3)C2=O)cc1 2297482126 PKJHMDGFJDCGNM-UHFFFAOYSA-N 456.589 3.741 10 10 JHCE CCCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 33453292 NSXXAPSMOKAOSU-XWALVKJWSA-N 480.615 3.841 10 10 JHCE COC(=O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc1OC 33458366 XVKKGWVUFLYEGD-ZSOIEALJSA-N 460.895 3.572 10 10 JHCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 248154551 CTZAREFZTNZGDB-NNYLJVSSSA-N 493.398 3.602 10 10 JHCE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705721518 GHNNIGNVBSQCJP-NRFANRHFSA-N 453.612 3.942 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cn3)CC2)cc1 1858437445 ZPIJJAKEHPYBID-UHFFFAOYSA-N 458.971 3.871 10 10 JHCE COc1ccc2c(c1)c(CNCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)cn2C 1860721201 GZTDXIZEWXRUNM-UHFFFAOYSA-N 453.498 3.691 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868691690 OLFJROUZBYAWHZ-BWKNWUBXSA-N 451.611 3.987 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](C)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869281650 LBRRTULSKIZXTM-IBGZPJMESA-N 463.557 3.843 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc5ccccc45)cn3CCO)CC2)cc1 1870487070 UVVQEUFJTAIJNF-UHFFFAOYSA-N 499.611 3.904 10 10 JHCE O=C1C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2053498046 GQICLGQYGMSVHW-GOSISDBHSA-N 492.626 3.729 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S 2296580372 BMZWLQXGACPUDZ-OAHLLOKOSA-N 481.574 3.658 10 10 JHCE O=C1[C@@H]2[C@H](C=Cc3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 2313621442 LWGSRAMWSPNCKD-ZRBLBEILSA-N 494.459 3.631 10 10 JHCE CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(C(=O)O)cc2)N=C1C 13914190 UMOWWXRQSSXTIP-WQRHYEAKSA-N 487.306 3.895 10 10 JHCE O=C(O)CCCCCNC(=O)CCCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15040514 UCGNYAWTCFFSEJ-VBKFSLOCSA-N 471.000 3.788 10 10 JHCE CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066800 FDMRWIARSIOFNT-OCKHKDLRSA-N 482.587 3.610 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccccc1 252675612 UNEUHONDHJCLEF-DEOSSOPVSA-N 475.614 3.645 10 10 JHCE COC(=O)c1ccc(CNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860344797 GUUKVNUBPLQGHJ-UHFFFAOYSA-N 492.535 3.677 10 10 JHCE CCCC[C@H](NC(=O)/C=C/c1ccc(C(=O)OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862261650 QFGLHZSLSHITHZ-QLHJLYHHSA-N 493.604 3.519 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008552 MSQJKZFHEIZUHT-DEOSSOPVSA-N 482.540 3.911 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864017384 KZURGJNOHTYIOS-HSZRJFAPSA-N 497.555 3.560 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865035399 SMILPTSQQKCSFH-HXUWFJFHSA-N 454.571 3.752 10 10 JHCE CC(C)COc1cccc(C(=O)NCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867694573 BRHFYFCHNRSGJO-AREMUKBSSA-N 480.653 3.861 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868746752 VPYGADMBFCJUTP-UPCAWOEVSA-N 467.635 3.685 10 10 JHCE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)Nc1ccccn1 1870934287 GTTANLKSXZGSCH-UHFFFAOYSA-N 485.544 3.609 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@]3(C)Oc4ccccc4N(CCc4ccccc4)C3=O)CC2)cc1 1871336142 ILEISHZOUJPQCK-GDLZYMKVSA-N 485.584 3.771 10 10 JHCE CCCN=c1nc(Nc2ccc(OCCC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871724000 DPTBZCHXNZXRAL-UHFFFAOYSA-N 477.613 3.983 10 10 JHCE O=C(c1cc2ccccc2c(CN2CCN(CC=Cc3ccccc3)CC2)c1O)N1CCOCC1 2040444861 UFUTWDSLMGWGKL-UHFFFAOYSA-N 471.601 3.849 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCc3ccccc3)nc12 2053498372 YKBNTYPAZZPYKS-SFHVURJKSA-N 492.626 3.995 10 10 JHCE CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 2294253399 MVVALGSPKWKKGE-UHFFFAOYSA-N 475.364 3.996 10 10 JHCE COc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 2296091549 UARFNWNBJQDIFW-UHFFFAOYSA-N 485.496 3.984 10 10 JHCE CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 3880362 LOOQHJJVAOCGSH-CJLVFECKSA-N 492.576 3.689 10 10 JHCE C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 11579565 JIAOSYYGBPEYTQ-UHFFFAOYSA-N 458.470 3.675 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)c3ccco3)CC2)cc1 38619667 JDDZRHMNFZSWSE-QFIPXVFZSA-N 482.968 3.560 10 10 JHCE Cc1ccc(S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)o2)cc1 40322813 BMUZCFURZUXYRF-NRFANRHFSA-N 455.580 3.520 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 47152363 VBKOFWKWHVIQNC-OTWJJXBCSA-N 473.532 3.928 10 10 JHCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c(C)c1 59860255 YDFOKYULGNMUED-AQTBWJFISA-N 450.451 3.555 10 10 JHCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1C 213200414 WFUMLSUETQIDAB-YVLHZVERSA-N 481.555 3.698 10 10 JHCE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)c1 727600258 SSYWFMABOCVRLG-SFHVURJKSA-N 454.596 3.605 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)sc(C)c1-c1ccccc1 1860747305 CXRGCNOHMMSQOJ-UHFFFAOYSA-N 494.573 3.709 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(OC)cc3OC)c3ccccc3)CC2)cc1 1861932504 LVKAZGOWBVMPSK-SANMLTNESA-N 489.572 3.532 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012487 ARCYACZGNNMIJR-QFIPXVFZSA-N 489.576 3.775 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865026026 IHESHESLYXCFTQ-NPMXOYFQSA-N 492.551 3.743 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865030290 HLJGEMYQOWDEGA-JOCHJYFZSA-N 474.561 3.546 10 10 JHCE CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)CC3)nn12 1874017816 XPJZJIFGMBLCTP-UHFFFAOYSA-N 494.555 3.878 10 10 JHCE COc1ccc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 2314836880 LIGSXXCKDHOIGQ-GFCCVEGCSA-N 472.544 3.630 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C(=O)N=C2S1 20324743 OURAXHVTNUAKOB-ZQPDCNDNSA-N 480.980 3.847 10 10 JHCE COc1ccc(N2CCN(C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)CC2)cc1 107719443 KVAXCKDYXAEEFL-UHFFFAOYSA-N 464.488 3.905 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)n1-c1ccccc1 62694326 WUSLLWXXEDKIPT-UHFFFAOYSA-N 472.010 3.937 10 10 JHCE Oc1cccc(CNc2cc(I)cc(I)c2)c1O 690340858 RLLMSDNOETYEKG-UHFFFAOYSA-N 467.044 3.919 10 10 JHCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C 1952346873 OTRJVZCTFJVGAU-SJORKVTESA-N 450.532 3.502 10 10 JHCE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N(C)C)C2=O)c1C 1084016257 VKDCJIZCUIGLRS-XNTDXEJSSA-N 487.310 3.707 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)cc1Cl 11857783 BRZHNQZPXUTPNE-UHFFFAOYSA-N 479.967 3.937 10 10 JHCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)cc1 11858062 OVUKSNXKRQXYGS-ZDUSSCGKSA-N 459.549 3.753 10 10 JHCE COc1cc([C@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468857 NFQWQVDEXHJHIU-WZOHSFFVSA-N 461.562 3.835 10 10 JHCE COCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 1777787 LRZNOWSXKWFHCN-QZQOTICOSA-N 481.599 3.588 10 10 JHCE COc1cc(C(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)cc(OC)c1OC 1860830188 UVEXBLTUNLLSBE-UHFFFAOYSA-N 463.534 3.961 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3cccc(Cl)c3)CC2)cc1 1862141806 MMLURFMCAGMAJH-YHEXHBFFSA-N 472.010 3.612 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)COc3ccc(C)c(C)c3)c3ccccc3)CC2)cc1 1862195426 RLKFAHPIFHYRMM-NDEPHWFRSA-N 487.600 3.897 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3ccccc3F)CC2)cc1 1862248862 JWRZXECGUOUGTD-SANMLTNESA-N 493.554 3.592 10 10 JHCE C[C@@H]1CCCC[C@H]1NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016821 YAESEUKRPSZMCJ-FQELHTAISA-N 474.561 3.888 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864020611 DWDHMFGYLXDUTK-FQEVSTJZSA-N 482.606 3.628 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc(C)c1 1865560066 LSJYSQCUPZMDSM-DEOSSOPVSA-N 487.604 3.572 10 10 JHCE CCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868764246 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LXRGCMGHKBINFU-SXGWCWSVSA-N 472.573 3.858 10 10 JHCE CCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 40888845 DSKUZXNQTUHBFB-LCYFTJDESA-N 460.371 3.621 10 10 JHCE CN1CCN(c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)cc2[N+](=O)[O-])CC1 59859918 PKMPBQJBNKEKTA-BOPFTXTBSA-N 469.885 3.507 10 10 JHCE COc1cccc(C2=NN(C(=O)CSc3nnc(N)s3)[C@H](c3ccc(N(C)C)cc3)C2)c1 72413227 BNSBGURQAYZOFT-IBGZPJMESA-N 468.608 3.665 10 10 JHCE O=C(CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)cc1 210496021 SDXUNBOUBDLVIK-OQLLNIDSSA-N 464.471 3.826 10 10 JHCE CCOC(=O)c1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)NC3=O)cc2OCC)cc1 210894742 YBVZFVGXDXJAMX-XDHOZWIPSA-N 486.571 3.768 10 10 JHCE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 727244129 VFAIPCJEOXEVEW-FLIBITNWSA-N 486.571 3.913 10 10 JHCE CC(=O)c1ccc(CNC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)nc1C 1566436347 YJRHJFHQTNVSSE-WQRHYEAKSA-N 459.618 3.952 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(C(=O)O)cc2)sc(C)c1-c1ccccc1 1860759961 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CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864009975 HJOYTHUPIKLBDE-HXUWFJFHSA-N 480.952 3.863 10 10 JHCE CC[C@@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868861116 ZUPOYCNGIKOQLO-ZEQKJWHPSA-N 497.636 3.696 10 10 JHCE CC(=O)NCCN1C(=O)C(Nc2ccccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422116 HDYKKNCDLYAYJS-UHFFFAOYSA-N 460.509 3.561 10 10 JHCE O=C1C[C@@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 2059896527 RSUJVXBELMZOKK-GOSISDBHSA-N 453.848 3.693 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(Br)o3)C2=O)cc1 2294095542 WNQFKFXSAWLQGI-UHFFFAOYSA-N 454.074 3.779 10 10 JHCE COc1cccc(N2C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)c1 2297358329 GARWNXMNKUHORQ-UHFFFAOYSA-N 456.321 3.770 10 10 JHCE Cc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)cc1Cl 33747139 VGPZPWFIFQKGLK-MRCUWXFGSA-N 499.061 3.976 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 35549231 WDQTZXBQGRQWJE-HMMYKYKNSA-N 467.547 3.994 10 10 JHCE CCCN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 39983389 GMYDMYWPZJBITD-IUDBQGPFSA-N 467.410 3.956 10 10 JHCE CC1CCN(c2ccc(CNC(=O)CCN3C(=O)c4ccc(Br)cc4C3=O)cc2)CC1 731015870 LAYLMHUMLYERQW-UHFFFAOYSA-N 484.394 3.988 10 10 JHCE CS(=O)(=O)Cc1cccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 749147785 BTGNZDHFVIWJMZ-LDADJPATSA-N 494.685 3.591 10 10 JHCE CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 1084281791 FQQYTUJWPMJLQS-WQLSENKSSA-N 479.327 3.827 10 10 JHCE CC(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2CCCSc2nccs2)CC1 1508225522 LUCSISGXAKNNQV-UHFFFAOYSA-N 474.631 3.706 10 10 JHCE CCCCNC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827447 YLNQMHNNSZCXPA-LDADJPATSA-N 459.593 3.624 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864019678 OSAJPRZZPMHQLK-JOCHJYFZSA-N 476.577 3.906 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665513 XYVPZBHCYHNGAD-CYVLTUHYSA-N 475.467 3.755 10 10 JHCE CC[C@@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868937508 ZQIGTSFNSVMGIH-XMMPIXPASA-N 465.594 3.519 10 10 JHCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C2CCCCCC2)C1=O 1873167039 PZXQZRCVYAPPOT-UHFFFAOYSA-N 462.594 3.623 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(C3CCCCC3)C2=O)cc1 1873169373 LUJFIXYLYDXKNS-UHFFFAOYSA-N 490.648 3.819 10 10 JHCE CCc1ccccc1OCCn1cccc1C=C1C(=N)N2N=C(N3CCCC3)SC2=NC1=O 2297352665 KLMLCPDIJRLFKC-UHFFFAOYSA-N 462.579 3.802 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)cc1 2314935848 SDXUNBOUBDLVIK-UHFFFAOYSA-N 464.471 3.826 10 10 JHCE CCOc1ccc(NC(=O)CSc2cc(N3CCN(c4ccc(OC)cc4)CC3)ncn2)cc1 65133706 GELDIDMWVGEXGC-UHFFFAOYSA-N 479.606 3.941 10 10 JHCE O=C(Nc1cc(I)cc(I)c1)c1cccc(O)c1O 690412495 AQEPBCWHXUNVQA-UHFFFAOYSA-N 481.027 3.559 10 10 JHCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c(-c4ccc(C(C)C)cc4)c(C)[nH]3)CC2)cc1 1858544088 DQWXAYMSBPRACK-UHFFFAOYSA-N 489.620 3.862 10 10 JHCE C[C@@H]1CCCC[C@@H]1NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016823 YAESEUKRPSZMCJ-YWMUFLPLSA-N 474.561 3.888 10 10 JHCE COc1cc(OC)cc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867396136 XGCYCFQXYZQJRT-RUZDIDTESA-N 496.652 3.622 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4CCO)nc(C(C)(C)C)n3)CC2)cc1 1867969098 OXGLEPCBJQRBNC-NRFANRHFSA-N 453.631 3.851 10 10 JHCE CCOc1cn(Cc2ccc(OC)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870366232 LVXWFGGJVCUHKN-UHFFFAOYSA-N 463.578 3.635 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)C)cn3CCC(C)C)CC2)cc1 1870479292 HJSPIQHNBDKHLQ-UHFFFAOYSA-N 485.625 3.556 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nonc3OCCCCOc3ccccc3C)CC2)cc1 1872677183 OWYOZUATKMNATP-UHFFFAOYSA-N 466.538 3.587 10 10 JHCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@H](C)c2ccccc2)C1=O 1873166969 MTMGJVLBGHKFCP-HXUWFJFHSA-N 470.573 3.661 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1873963428 ALYYIBCRDCOERO-GPDGYPOZSA-N 494.595 3.774 10 10 JHCE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2296711230 DRHQFSVYYDUKNG-UHFFFAOYSA-N 479.627 3.764 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)C=Cc3ccc(Cl)cc3)cc2)cc1 2330156289 DIUJTYKMLOJOAP-UHFFFAOYSA-N 485.949 3.729 10 10 JHCE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)C2=O)cc1 15051164 HKGSQBTYBDTENO-FNTDYBJHSA-N 458.948 3.882 10 10 JHCE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 33812581 RYNHHJOWJMCVIX-ZHTGWBIJSA-N 487.695 3.580 10 10 JHCE O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 40927887 NZAGWPPXHTVHNU-XDJHFCHBSA-N 476.620 3.924 10 10 JHCE COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 40940477 HQWACLMNNLZPNW-DHDCSXOGSA-N 494.348 3.912 10 10 JHCE CC(=O)Nc1c(C)noc1/C=C/c1ccc(C)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1 95841831 BXNGQDYCRIUZOJ-JLHYYAGUSA-N 468.579 3.965 10 10 JHCE CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@@H]2CC(=O)N(CCCCCC(=O)O)C2=O)C1=O 96834577 KRBIUBQLRKODFF-HLYZQZKRSA-N 472.588 3.607 10 10 JHCE Cc1ccc(N2C(=O)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)c(C)c1 1084521204 QPEWUTRUCJCCDX-NDENLUEZSA-N 475.530 3.845 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C(=O)N(C)c4ccccc4)cc3)c2)CC1 1435912587 QBKCTUVOMJUPSS-UHFFFAOYSA-N 456.546 3.884 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCCOc3ccc(C)cc3)CC2)cc1 1862215848 SVUQNGFJTLTYNP-VWLOTQADSA-N 465.594 3.502 10 10 JHCE CC[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862262904 VIVMRTSDQOXGNE-XMMPIXPASA-N 453.583 3.587 10 10 JHCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864008934 VJUHXUCQWUADIC-FQEVSTJZSA-N 468.941 3.712 10 10 JHCE CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867357110 FKBXGAQMECGLQA-DQEYMECFSA-N 495.624 3.903 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H]3CC(=O)c4ccccc43)c3ccccc3)CC2)cc1 1869038829 WGRIEAOPAHAWDE-ZTOMLWHTSA-N 497.595 3.962 10 10 JHCE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cccc(N5CCOCC5)c4)cc3C2=O)cc1 1873744573 DLFMIQSBBZLXDF-UHFFFAOYSA-N 485.540 3.623 10 10 JHCE COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC(=O)N1C 1874179390 BGMFSDFDJMCIKE-YADARESESA-N 454.482 3.629 10 10 JHCE O=S(=O)(Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1cccc2nsnc12 1892358697 VSDAHFOSOXOKLH-UHFFFAOYSA-N 486.600 3.634 10 10 JHCE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)CC2 2136297627 ZYQSCKVQLRLULD-ROUUACIJSA-N 459.543 3.507 10 10 JHCE O=C(O)CCNC(=O)CCCCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314831503 MMBPPLKPHYVQTH-UHFFFAOYSA-N 485.425 3.802 10 10 JHCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cccc(OC)c1OC 33344260 SNCBQKIBGJAXLA-XDJHFCHBSA-N 467.518 3.636 10 10 JHCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCCOc1ccccc1C 101379389 VRBBKZNKSGBIKV-QNGOZBTKSA-N 474.513 3.931 10 10 JHCE Oc1c(Br)cc(-c2nnc3nc4[nH]c5ccccc5c4nn23)c(Br)c1O 261365268 QZTUJQFNGCMEBQ-UHFFFAOYSA-N 476.088 3.757 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCO)C1 1741013964 BNGJPAZHDFBRJV-HSZRJFAPSA-N 478.641 3.820 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862204594 HORTULNSIZVQLG-BWKNWUBXSA-N 479.621 3.926 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864012294 WZIUPEOFZUYLKI-HJPURHCSSA-N 476.577 3.877 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1864020301 AGBIEKRAXGHABJ-NQYLQCIDSA-N 454.571 3.656 10 10 JHCE COc1cc(OC)c2c(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c2c1 1866556811 QNPXXCZPTKBHTF-UHFFFAOYSA-N 454.438 3.573 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869969976 BRXXDEKICGPLEE-UHFFFAOYSA-N 489.967 3.903 10 10 JHCE CC(=O)NCCN1C(=O)C(Nc2ccc(F)c(F)c2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423710 HQXTXODHDLBSQM-UHFFFAOYSA-N 496.489 3.840 10 10 JHCE COc1ccc(N2CCN(c3cnn(-c4ccc(Br)cc4)c(=O)c3Cl)CC2)cc1 1873523949 QEZKTZHUMLDOCS-UHFFFAOYSA-N 475.774 3.984 10 10 JHCE Cc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 2297346160 IIBATXBIZWYNRB-UHFFFAOYSA-N 475.983 3.677 10 10 JHCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)NCc1ccco1 2314397527 UTAPPQVESCGUGD-UHFFFAOYSA-N 484.555 3.978 10 10 JHCE O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)c1 20705541 OAWOGTXRYQBUQW-CLWLKPMESA-N 455.536 3.879 10 10 JHCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCOCC)C1=O 33780693 IZSCFVXAPCMILI-ICFOKQHNSA-N 460.625 3.924 10 10 JHCE CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)/C=C2/NCCc3cc(OC)c(OC)cc32)c1 102578833 AMFLCHMPGUIYBD-RCCKNPSSSA-N 489.663 3.969 10 10 JHCE O=C1c2ccccc2C(=O)c2c1cccc2N(CCN1CCCC1)S(=O)(=O)c1cccs1 586214974 SVSWRLHTZYIMMN-UHFFFAOYSA-N 466.584 3.815 10 10 JHCE COc1ccc2[nH]cc(/C=C3/SC(=S)N([C@H](Cc4ccc(O)cc4)C(=O)O)C3=O)c2c1 1858592822 YIFDMDSHAXUDID-KDCXGNEQSA-N 454.529 3.779 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864017398 LGDRGKRFBLDZNH-JOCHJYFZSA-N 474.561 3.989 10 10 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CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865031815 OPMJGDPNIJOUKJ-OAQYLSRUSA-N 474.561 3.934 10 10 JHCE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C(C)C)C2=O)CC1 1873162130 HUZJLORBVNNTSG-UHFFFAOYSA-N 478.593 3.793 10 10 JHCE COC(=O)c1c(C)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079957393 OMVLLZSPICBZLZ-INIZCTEOSA-N 456.280 3.686 10 10 JHCE C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1N)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 2087878469 BFYGHXKHNBULMM-NSHDSACASA-N 493.859 3.790 10 10 JHCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 2297311183 QPORCHKCDQHFKS-UHFFFAOYSA-N 468.252 3.598 10 10 JHCE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OCCc4ccccc4)c(OC)c3)C2=O)cc1 2297578162 SDBXTJGSNZSANA-UHFFFAOYSA-N 472.497 3.565 10 10 JHCE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1 2314931392 NQHWYNARJONELT-UHFFFAOYSA-N 462.936 3.740 10 10 JHCE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 33350108 MNGDYQDTHSBFEN-SAPNQHFASA-N 458.609 3.677 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1 39983086 XBFKHMPDTPFDHK-SIUCFOQUSA-N 493.610 3.731 10 10 JHCE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc3c(c2)OCO3)SC1=S 40066625 FSDPETTYHBUWHW-CCSWUNFSSA-N 496.614 3.906 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C2=O)cc1C 59302582 UYVMXERMEYWVAB-YBEGLDIGSA-N 458.312 3.926 10 10 JHCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/NNc1nc2ccc(Br)cc2c(=O)[nH]1 101113940 VFIXQAUXAHQQTQ-OQLLNIDSSA-N 473.718 3.562 10 10 JHCE CC(C)C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]21 104582038 NLMNJXAWWMIRIR-GIRPNKPCSA-N 458.514 3.865 10 10 JHCE COc1ccc(N2C(=O)[C@H]3[C@@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 104906239 IXJIORVRZSWRLY-BPJMGQHASA-N 479.488 3.731 10 10 JHCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)c1 226835776 NHGFHRLVHFVRSR-XQNUDUSMSA-N 471.535 3.584 10 10 JHCE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864016606 UBASNGGVHKWEBF-HSZRJFAPSA-N 494.551 3.983 10 10 JHCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035318 QPRHTCXUJARDDZ-NRFANRHFSA-N 494.979 3.875 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4c(C)cccc4C)n(C)n3)CC2)cc1 1869969205 JKODXQWIADPDOO-UHFFFAOYSA-N 478.597 3.565 10 10 JHCE CC(=O)NCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870911412 OQWREONDZNUUIJ-UHFFFAOYSA-N 492.576 3.671 10 10 JHCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871545354 IXJYZVGNVOYDNA-UHFFFAOYSA-N 465.577 3.535 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873166865 ZHOZHGFRNCIIQD-QHCPKHFHSA-N 456.546 3.538 10 10 JHCE C[C@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1cc(O)ccc1O 2259426257 OZPAAUMFPSKNON-HNNXBMFYSA-N 451.564 3.605 10 10 JHCE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 2297477484 YCYIGRSYZBZZOK-UHFFFAOYSA-N 484.555 3.792 10 10 JHCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314836688 INEPWVCOJHMYJD-LBPRGKRZSA-N 485.425 3.800 10 10 JHCE Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 15034340 NIEBVNXWKSADPZ-PDGQHHTCSA-N 456.545 3.688 10 10 JHCE COCC(=O)N(C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(C)C 34740899 IPVAVAPKCVDHPR-DHLKQENFSA-N 453.627 3.860 10 10 JHCE CC(C)[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O 1859498908 XYFGHRJTULGRJV-JOCHJYFZSA-N 452.466 3.721 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028424 UQBOIHMIFOTABV-DEOSSOPVSA-N 488.588 3.913 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)C[C@@H](CNC(=O)C(F)(F)F)c2ccccc2)c2nccn2C)cc1 1865983855 WCYDOEYFLHYKNB-UGKGYDQZSA-N 487.526 3.544 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cncc(C)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969700 JIHUKRWUUIGBOU-UHFFFAOYSA-N 499.575 3.567 10 10 JHCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(F)F)c(C(=O)O)c1I 2079875373 SQCXVCLACLKTIH-VIFPVBQESA-N 452.195 3.837 10 10 JHCE CCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400174 JZSHSSXYASOADI-HOTGVXAUSA-N 472.636 3.618 10 10 JHCE C[C@H](C(=O)NCC(=O)O)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314837039 NLAJCYXFIKDJDJ-CYBMUJFWSA-N 450.541 3.784 10 10 JHCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)cc1)C(=O)O 2314929151 IAZQOVRJHJTPAZ-INIZCTEOSA-N 460.508 3.614 10 10 JHCE O=C(Cn1nnc(-c2ccc(Br)cc2)n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 19535311 XQGOKGKKHBHDBF-UHFFFAOYSA-N 488.301 3.517 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2S1 20207827 IZVVIXOZDFBSCK-LMFUVNESSA-N 469.331 3.875 10 10 JHCE N=C1/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(N3CCCC3)=NN12 20356344 PAFHNMKCSOYMPS-HORDIMCOSA-N 476.518 3.846 10 10 JHCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)cc1OC 20715287 MOCWPKKMCMHUQS-IECBHUPTSA-N 456.564 3.551 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)C(=N)N21 34145431 NIUJUQVBSZVONL-PUYZJMEQSA-N 498.586 3.594 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)ccc1OCCO 59861170 FFALPMKEMQEZLG-XNTDXEJSSA-N 475.295 3.644 10 10 JHCE COC(=O)Cc1sc(NS(=O)(=O)c2cc(Cl)ccc2OC)nc1-c1ccccc1 71565005 PUYDDFBUWCLXDT-UHFFFAOYSA-N 452.941 3.988 10 10 JHCE COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3C(=O)O)SC2=S)c(OC)c1 210401783 CDUKPFNOFMCFLE-SXGWCWSVSA-N 461.517 3.825 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)CCc3ccc(-c4ccccc4F)o3)CC2)cc1 742926881 DKERWQIHXRYLOU-UHFFFAOYSA-N 451.542 3.965 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(F)cc3)CC2)cc1 1862065271 FXYGWAWNTMDCPK-RUZDIDTESA-N 479.527 3.663 10 10 JHCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864013115 QHTPKFWBCRMUDW-QFIPXVFZSA-N 474.561 3.577 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865028463 VPIUYMDNASPZEU-QHCPKHFHSA-N 476.577 3.994 10 10 JHCE O=C(NCc1ccco1)c1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 1871342837 KJPOKMSWSLRMFY-UHFFFAOYSA-N 461.521 3.859 10 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482.540 3.884 10 10 JHCE COCC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 1084265577 VGDYFQVJJFDOFQ-YIXHJXPBSA-N 493.697 3.962 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C=C/c3ccc(Br)cc3)CC2)cc1 1861951042 QVJSXCYJBLNWTL-AWNIVKPZSA-N 486.410 3.715 10 10 JHCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864010160 JDKMPIWMWLVOFI-FQEVSTJZSA-N 454.571 3.708 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019234 WYPCONVMKDUFEU-LHSJRXKWSA-N 480.540 3.653 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864022165 VDKUICZRLOFOLG-OAQYLSRUSA-N 462.550 3.524 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865033919 KIOWQPNPUOKAMF-MRXNPFEDSA-N 480.487 3.820 10 10 JHCE CC[C@](C)(NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867253107 UDDBQMHFLUWNDH-NDEPHWFRSA-N 496.523 3.993 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cncc(C)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970595 UHXDWPOPOHOFKT-UHFFFAOYSA-N 483.576 3.867 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C(F)(F)F)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970817 QSTOBAVUGUMWTQ-UHFFFAOYSA-N 480.878 3.757 10 10 JHCE O=S(=O)(O)c1ccc2c(/N=N/c3n[nH]c4cc(Cl)ccc34)c(O)c(S(=O)(=O)O)cc2c1 2037597132 VZXDTBRHUUMLAE-LSDHQDQOSA-N 482.883 3.984 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NCc4cccs4)c4ccccc34)C2=O)c1 2297365351 CQFBUHZBKHNRGZ-UHFFFAOYSA-N 498.564 3.994 10 10 JHCE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)C[C@@H](C)O1 2314400747 QZSIWRZCDBEPAD-HZPDHXFCSA-N 484.647 3.842 10 10 JHCE O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 2323809176 HCBWDCIEEJAXTN-OAHLLOKOSA-N 464.908 3.851 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(CC=Cc5ccccc5)CC4)nc(C)n3)CC2)cc1 2331187227 KHBNIUDPAXCHIE-UHFFFAOYSA-N 484.648 3.956 10 10 JHCE C[C@H](NC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 15048507 VQJMQVIQHHNBAD-XNMUIVTDSA-N 456.545 3.658 10 10 JHCE COc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c(N2CCOCC2)cc1OC 20496582 BSZCCTXHQNYXTK-UHFFFAOYSA-N 470.378 3.974 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC 206703676 LVCNGEVGZQNDAA-RGEXLXHISA-N 494.635 3.789 10 10 JHCE CCOC(=O)CCCCCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 206726033 LSJAJZYLLMMJFM-RVDMUPIBSA-N 454.526 3.634 10 10 JHCE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)C1 238937214 UICGYMWJRHNAJH-IXDOHACOSA-N 484.647 3.557 10 10 JHCE COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1[N+](=O)[O-] 1084058494 LHSNWKFXIZJJBZ-JYRVWZFOSA-N 474.267 3.649 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccccc3SCc3nc(C)no3)c2)CC1 1585114499 YIKNNIUHNVMBPY-UHFFFAOYSA-N 451.552 3.591 10 10 JHCE CCOc1ccccc1OCCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 1860826737 LGQVJIHPTUQETF-MRCUWXFGSA-N 498.582 3.557 10 10 JHCE CCCOc1ccc(CC(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861901160 IURFPUAFVQBHRE-UHFFFAOYSA-N 467.610 3.579 10 10 JHCE 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10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)c(C)c1 11857640 WDGADMSJAWIXMA-UHFFFAOYSA-N 459.549 3.592 10 10 JHCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1 31658823 YOBFWGYCBMKPSR-VWLOTQADSA-N 460.490 3.961 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 34798491 CWJWPXKNKVRJES-XMHGGMMESA-N 496.614 3.553 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)CCc3ccc(OC)c(OC)c3)C2=O)c1 62050781 VNHVEZRILANXEW-RCCKNPSSSA-N 486.615 3.663 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=C/C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 725409675 YBQMJYVMLMOBLL-VXNLAPHASA-N 473.598 3.529 10 10 JHCE CS(=O)(=O)NCCN1C(=O)/C(=C/c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 727175895 CGNBYROGBMMKGF-JYRVWZFOSA-N 493.579 3.579 10 10 JHCE C=C(C)COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccccc1O 1705736719 ASHALOFPFRKPPS-FQEVSTJZSA-N 487.601 3.521 10 10 JHCE CN1C(=O)Cc2cc(S(=O)(=O)N(CCc3c[nH]c4ccccc34)c3ccc(N)cc3)ccc21 1857992376 QBTXPUZYJQUPKZ-UHFFFAOYSA-N 460.559 3.707 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1861961975 HZWFJJRBYJBPHQ-UHFFFAOYSA-N 456.757 3.734 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccco1 1865318986 INJHFTHJHGOEFC-HSZRJFAPSA-N 491.592 3.501 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c2nccn2C)cc1 1865890161 CRKJIJLTMYPJQS-XMMPIXPASA-N 485.588 3.934 10 10 JHCE CCC[C@@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868604374 IIKFTSMWEBPLJR-RUZDIDTESA-N 495.668 3.964 10 10 JHCE O=C(N[C@@H]1COCC[C@H]1NCc1cc(Cl)cc(Br)c1O)OCc1ccccc1 2031531834 FPVDZQLSKGXRLK-QZTJIDSGSA-N 469.763 3.982 10 10 JHCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)F)c(C(=O)O)c1I 2079875372 SQCXVCLACLKTIH-SECBINFHSA-N 452.195 3.837 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(OC)c1O 2294216457 FCOUOTRZKDDTLF-UHFFFAOYSA-N 464.952 3.917 10 10 JHCE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C(C)C)C3=O)c3ccccc32)cc1 2296701621 NJVBKPDYRDEWHY-UHFFFAOYSA-N 467.572 3.660 10 10 JHCE Cc1cccc(COc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 2297346326 VXRJPSJGHNHTIX-UHFFFAOYSA-N 488.978 3.849 10 10 JHCE C[C@@H](NC(=O)CCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 2314827605 ILSRPKQMAFVLSF-CQSZACIVSA-N 456.545 3.660 10 10 JHCE Cc1cc(/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 33317541 IRTFMOXOTQTOIZ-NDENLUEZSA-N 459.527 3.996 10 10 JHCE COc1ccc(N2CCN(c3nnc(C(=O)NCc4ccccc4)c4ccccc34)CC2)cc1 34838491 AMOVNXXRZLDCAT-UHFFFAOYSA-N 453.546 3.895 10 10 JHCE CCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990070 UHCLKSUHFNJFDB-VUFYJBQKSA-N 474.652 3.522 10 10 JHCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccccc2)SC1=S 40066537 VQHHUCYATDOONH-UYRXBGFRSA-N 452.605 3.831 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc1 40928146 VEENZNKTMIEOSO-XDJHFCHBSA-N 478.636 3.868 10 10 JHCE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(O)c(O)c2)c1 526285680 BMLNOVXFPBZINO-HXUWFJFHSA-N 481.482 3.790 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)CCCc3ccccc3Br)cc2)CC1 1625193258 SANBWJDTYCLLPL-UHFFFAOYSA-N 458.400 3.757 10 10 JHCE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(CC)CC)cc2)CC1 1705650022 JLLWRPSULQGJOA-UHFFFAOYSA-N 476.669 3.871 10 10 JHCE C=CCN(c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N(C)C)c(F)c1)C1CC1 1705858452 MXOCZYSCSBNWIG-UHFFFAOYSA-N 454.575 3.678 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)sc(C)c1-c1ccccc1 1860759495 CJSOIQMKRNNFIP-UHFFFAOYSA-N 466.515 3.884 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864014265 QSPWLHOPLMGOMN-HXUWFJFHSA-N 454.571 3.800 10 10 JHCE CCC[C@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868727035 MQCSGDCPHJZEFO-DEOSSOPVSA-N 497.636 3.669 10 10 JHCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873169482 BYGCDMCFTPGACI-UHFFFAOYSA-N 480.653 3.922 10 10 JHCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1OC 1873421411 WAUQDKRBZMKLOZ-UHFFFAOYSA-N 488.588 3.865 10 10 JHCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCOCC)ncnc21 1875203855 ORQLGRUOAUHHCQ-UHFFFAOYSA-N 480.613 3.651 10 10 JHCE Cc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2079031645 PPWBAXOJGGNPLG-OAHLLOKOSA-N 453.324 3.898 10 10 JHCE O=C1C(=Cc2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2296727073 MEFZNOTYLPSBJV-QGZVFWFLSA-N 478.599 3.687 10 10 JHCE CCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1 2296754051 VVOUXAPGVGQFQL-UHFFFAOYSA-N 484.559 3.882 10 10 JHCE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S 2297464051 KLTFJVAILHPIBO-LBPRGKRZSA-N 482.333 3.838 10 10 JHCE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400490 NRKGDVNOZSTJOC-ARFHVFGLSA-N 472.636 3.616 10 10 JHCE CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCCC3)ccc21 9138273 OTJTZYQMWYZCKA-VWLOTQADSA-N 452.643 3.719 10 10 JHCE CN(C)c1ccc(/C=C/CN[C@H]2C[C@@H](C(=O)NCc3cccnc3)N(Cc3ccccc3)C2)cc1 19637998 OMTMTMUFLVTBKT-ARFDUNJTSA-N 469.633 3.710 10 10 JHCE COC(=O)c1ccccc1-n1c(C)cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C 27572117 VDWWZSBNRWAHLU-HYARGMPZSA-N 486.528 3.721 10 10 JHCE CCCCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OS(C)(=O)=O)c(OCC)c3)C(=O)N=C2S1 33424337 DIKMZROROZIZBB-FHJHWHQUSA-N 484.987 3.886 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3ccccc3C)nc3ccccn3c2=O)SC1=S 33785502 QUAMPXYUQSRLDM-GHRIWEEISA-N 453.545 3.643 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(NCCCO)nc12 33905701 WYEMXXAKYPJBCB-CAPFRKAQSA-N 494.642 3.631 10 10 JHCE O=[N+]([O-])c1cc(Br)cc([C@@H]2Nn3c(COc4ccccc4)nnc3S2)c1O 59168807 OTOMJKJMHQFWIM-OAHLLOKOSA-N 450.274 3.581 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 256039362 YMFGDMCHCVNROI-DQEYMECFSA-N 474.667 3.579 10 10 JHCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)cc1OC 526158281 MTJYZSFEFNTYIR-DEOSSOPVSA-N 477.469 3.943 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(C)O)CC1 1690815863 QFAWTKFMBSTNRA-UHFFFAOYSA-N 464.614 3.572 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc5c(c4)CCC5)cn3)CC2)cc1 1858438883 QVNUPITZMOLZKB-UHFFFAOYSA-N 464.591 3.706 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030493 LAJVHRTUZUSHLT-HXUWFJFHSA-N 454.571 3.610 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c2nccn2C)cc1 1865886463 ATVYWWPDZHTMQN-DEOSSOPVSA-N 479.540 3.806 10 10 JHCE CCC[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868811681 XOHUOUITKIFKBU-XMMPIXPASA-N 476.577 3.526 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871603942 NZDSUDANCHOOBE-UHFFFAOYSA-N 475.641 3.869 10 10 JHCE Cc1ccc(CN2C(=O)C(NCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165721 REHBIOHECNEZNP-UHFFFAOYSA-N 456.590 3.834 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2080054906 XFRSGMXLMYJIQC-HNNXBMFYSA-N 469.323 3.598 10 10 JHCE O=C1NC(=S)SC1=Cc1c(N2CCC(Cc3ccccc3)CC2)nc2ccccn2c1=O 2296707846 ROMDWOPHLBUDBK-UHFFFAOYSA-N 462.600 3.642 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(O[C@@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 2297346268 RBFJDIFSSQSBNG-AWEZNQCLSA-N 498.586 3.847 10 10 JHCE CCCOc1ccc(C=C2SC(=S)N(CCCN3CCOCC3)C2=O)cc1OCC 2323708399 ZZNRYZBMSATIJA-UHFFFAOYSA-N 450.626 3.798 10 10 JHCE COc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2cccc3nsnc23)c1 19079859 PHDOAZDPGKFGFS-UHFFFAOYSA-N 454.533 3.777 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(SCc4ccccc4)o3)C(=O)N=C2S1 20324749 DVHHFIWKBACISW-NIIVYLOLSA-N 460.562 3.583 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33457475 TWZVFHIQHPMEBF-GRSHGNNSSA-N 486.571 3.615 10 10 JHCE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4cccc(C)c4)C3=O)C2=O)cc1OC 101974244 QVKIGMFSIPHZSY-YLRSXTQRSA-N 468.556 3.546 10 10 JHCE CCCOc1ccc(CC(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861899997 FPYNHGGAPPOZGS-DEOSSOPVSA-N 497.661 3.585 10 10 JHCE CCC[C@@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866702556 LDNYQHNEFYVKCV-NOZRDPDXSA-N 483.568 3.988 10 10 JHCE CC[C@@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867839136 UNRWDOBFNXNUEO-DNQXCXABSA-N 454.590 3.744 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873426371 ZYJHTBQXWLJZAG-UHFFFAOYSA-N 470.573 3.618 10 10 JHCE CCCCN(CCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 1873543083 AXHRUIZKWXREKA-UHFFFAOYSA-N 464.614 3.956 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2296885339 PUDLPTHKLSPKBR-UHFFFAOYSA-N 460.508 3.850 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3OC(C)=O)C2=O)cc1 2297578928 WJOGFHUUMUBMCZ-UHFFFAOYSA-N 456.545 3.851 10 10 JHCE COc1ccc(OC)c(N2C(=O)C(=CN3CCN(c4ccc(F)cc4)CC3)SC2=S)c1 2313608957 BKBUDUHDDMJETO-UHFFFAOYSA-N 459.568 3.871 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cccc(OC)c1OC 2313682401 BRZWTQKROILPHE-UHFFFAOYSA-N 466.519 3.965 10 10 JHCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314837022 NEXKTMCQAIASHL-HNNXBMFYSA-N 454.573 3.924 10 10 JHCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)c1)C(=O)O 2314926083 AQFBWORTHQUKRO-INIZCTEOSA-N 459.501 3.738 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1OCCC(=O)O 2314935661 QFEIWKFENVEOSJ-UHFFFAOYSA-N 490.534 3.624 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCNC(=O)COc3cccc(C)c3C)C2=O)c1 2320656173 KHUYWHBBJHUQBI-UHFFFAOYSA-N 456.589 3.708 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O 15010436 NAYZNAGXXKAJFP-SDQBBNPISA-N 467.728 3.648 10 10 JHCE COc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)S2)c(OC)c1 16912257 KRLFAMUETJRAIS-YBFXNURJSA-N 458.492 3.648 10 10 JHCE CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)c1C 20206915 GGEAPHTWZOFFCK-ZTHFNACSSA-N 469.592 3.668 10 10 JHCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 248154539 CTZAREFZTNZGDB-BTEUIGDQSA-N 493.398 3.602 10 10 JHCE CNS(=O)(=O)c1ccccc1N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 727825524 RILVQSQLAZHBSC-UHFFFAOYSA-N 490.423 3.538 10 10 JHCE CC(=O)N1CCC(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)CC1 1286855642 NIBDUDMUQUIPLX-UHFFFAOYSA-N 482.673 3.598 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)ccc21 1860597621 MDVRBXOMKLJCGN-UHFFFAOYSA-N 483.480 3.861 10 10 JHCE CC[C@](C)(NC(=O)CCc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861945380 RIRVDMCTBDGJEK-MHZLTWQESA-N 451.611 3.878 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864017100 FNGPXCDXINFELR-FQEVSTJZSA-N 478.549 3.601 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864017896 XVXHBDDSWSPXNA-JOCHJYFZSA-N 474.561 3.908 10 10 JHCE CC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867295910 CFOYNTGXYMJBFZ-UIOOFZCWSA-N 494.636 3.530 10 10 JHCE CC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868639162 FTUPAXMBDDUDSJ-XMMPIXPASA-N 490.604 3.753 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 1868824776 GDTQEMPNRQMEPL-HJOGWXRNSA-N 485.625 3.525 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCCN(C)C)C2=O)cc1 1873165126 CVAJWRZKGNIKEI-UHFFFAOYSA-N 466.626 3.530 10 10 JHCE Cc1cc(O)c([C@H](C2CC2)n2nc(C3(C)CC3)c(C(N)=O)c2I)cc1C 2080001392 IEDJYCOBVDNDLF-INIZCTEOSA-N 465.335 3.960 10 10 JHCE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(OC)c1 2313560763 FYOZDZFARJGXHY-UHFFFAOYSA-N 472.339 3.970 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 20356518 ALLWOURTLHPNSK-VHYXQTFXSA-N 489.557 3.977 10 10 JHCE CCN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 33695209 AAPCTTHFXHZRDU-BFWGRDPESA-N 453.383 3.566 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1F 35962231 NQLNBPOUUCKHDX-XMMPIXPASA-N 480.515 3.770 10 10 JHCE CC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)(F)F)cc2)c1C 750424129 SNAQFIVKUXRAGO-IBGZPJMESA-N 452.429 3.730 10 10 JHCE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1)[C@H]1C[C@@H]1C 1662054284 OADFJXMWUWHNQU-BVZFJXPGSA-N 450.583 3.978 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 1860343966 QLYJOSBDIIVDKM-SONOPUAISA-N 482.584 3.728 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCCOc3c(C)cccc3C)CC2)cc1 1862210792 SSGGQVVKNCYTJA-RUZDIDTESA-N 479.621 3.811 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCCOc3ccc(C)cc3)CC2)cc1 1862215689 QZRAKQXHTMEQPQ-RUZDIDTESA-N 499.677 3.749 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864008316 IDYFVHVOXLCZPJ-JOCHJYFZSA-N 462.550 3.652 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1868824778 GDTQEMPNRQMEPL-SMIHKQSGSA-N 485.625 3.525 10 10 JHCE CNC(=O)COc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871017930 DMWXHLWPTRGSCR-UHFFFAOYSA-N 486.576 3.616 10 10 JHCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccnc1 2294095212 LMCRGJLRZODBDQ-UHFFFAOYSA-N 465.307 3.918 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)cc1 2297555751 KWLUIHPNDCWPLR-UHFFFAOYSA-N 459.527 3.712 10 10 JHCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=S 2314541133 FUCLJLLXCYQJDJ-CYBMUJFWSA-N 450.925 3.520 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)O 2314933611 WLHGXIDAIXSITA-UHFFFAOYSA-N 492.962 3.748 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC)C(=O)O 2314934277 YVFCEODHORQHAU-MRXNPFEDSA-N 486.571 3.792 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc(Cl)s2)nc1-c1ccc2c(c1)N(C)C(=O)CO2 11857772 MOMLPOIZMWSDIX-UHFFFAOYSA-N 455.970 3.989 10 10 JHCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1OC 14479322 MOCWPKKMCMHUQS-XLNZFTOWSA-N 456.564 3.551 10 10 JHCE CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)o2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 20407358 DFESKPRSKXVPCJ-ZDQFFALBSA-N 498.608 3.841 10 10 JHCE CCOC(=O)COc1ccccc1/C=C1\C(=O)N(c2cccc(Br)c2)C(=O)N=C1O 33417611 PUQCXJNYQOKZBC-YBEGLDIGSA-N 473.279 3.898 10 10 JHCE Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C(=O)N(c3ccccc3)C2=S)cc1 108482472 YCQLJFLCBDRRDO-RCCKNPSSSA-N 482.565 3.934 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 205691162 LNHFTLFRIVBMHA-LICLKQGHSA-N 459.505 3.539 10 10 JHCE COc1ccc(N2CCN(CCNCc3cnn(-c4ccc(Br)cc4)c3)CC2)cc1 742700417 BPSFAIVQKFTVQM-UHFFFAOYSA-N 470.415 3.555 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3nnc(SCc4ccccc4)s3)CC2)cc1 743277526 AKWYYCQTFYZTKF-UHFFFAOYSA-N 484.651 3.783 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(-n4nccc4C(F)(F)F)c3)c2)CC1 1459050617 LWUCVALKFZZVAF-UHFFFAOYSA-N 457.456 3.812 10 10 JHCE CC(=O)c1cccc(OCc2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)no2)c1 1539705850 HZWDRIPTXMZKAS-DEOSSOPVSA-N 450.539 3.555 10 10 JHCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)[C@@H]2CCCO2)cc1 1858895433 NIOGBNIDBNNDNU-QHCPKHFHSA-N 470.481 3.868 10 10 JHCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864010570 NURNCMITRIFADP-IBGZPJMESA-N 468.941 3.720 10 10 JHCE CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868989582 RJRAABLRCZUKKJ-HSZRJFAPSA-N 493.583 3.576 10 10 JHCE CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 2296538503 SPFNPYBLAYBDOV-UHFFFAOYSA-N 457.964 3.917 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 2297340906 PUEKVQNHWUSTRO-UHFFFAOYSA-N 466.233 3.672 10 10 JHCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)cc1Cl 2297346111 DVEAYORSTIPAOA-UHFFFAOYSA-N 475.983 3.677 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)O)SC2=S)cc1OC 2314930326 BBBGGZXPIDBIGG-CQSZACIVSA-N 473.572 4.000 10 10 JHCE COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 3662666 YSNLOZCEXXRGNC-MFOYZWKCSA-N 460.895 3.732 10 10 JHCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1cn[nH]c1-c1ccccc1 33572132 ZOYLFZCOQUIFQZ-XSFVSMFZSA-N 460.519 3.777 10 10 JHCE CN(C)c1ccc(CNC(=O)c2ccc(CN3C(=O)[C@H]4CCCN4C(=O)c4ccccc43)cc2)cc1 35459285 IRWUVYRQMHTRKM-AREMUKBSSA-N 482.584 3.834 10 10 JHCE COc1ccc(N2CCN(c3ncnc(NCc4ccc(Cl)cc4)c3[N+](=O)[O-])CC2)cc1 40611218 UHQAFEKVOGPRQT-UHFFFAOYSA-N 454.918 3.986 10 10 JHCE Cc1nn(-c2ccccc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 59858339 DWGDYTIBPVTYHS-PDGQHHTCSA-N 480.322 3.830 10 10 JHCE Cc1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1Cl 65096356 YPUJGIVLOGFOMV-UHFFFAOYSA-N 453.347 3.927 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(C)cc2)SC1=S 208273169 MANZCJRWUOJEBV-UDWIEESQSA-N 482.631 3.724 10 10 JHCE CN1CCN(Cc2ccc(N3C(=O)C(O)=C(c4cccs4)[C@H]3c3ccc(O)c(O)c3)cc2)CC1 526603220 KANKYIBTBZQLRF-XMMPIXPASA-N 477.586 3.964 10 10 JHCE O=C(NCc1ccc(OCc2ccccn2)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 918230222 CDVAINCFQQCXAD-UHFFFAOYSA-N 460.578 3.869 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(F)(F)F)[C@H](C)C1 1760606296 HVDJASMEBGCLIN-MRXNPFEDSA-N 460.504 3.972 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)Nc2sc(C)cc2C(N)=O)sc(C)c1-c1ccc(C)cc1 1860768104 VZICTPMHAQRCJW-UHFFFAOYSA-N 471.560 3.865 10 10 JHCE 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3.989 10 10 JHCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1cccc(F)c1 31660172 SDUDYXJFXAVHJR-DEOSSOPVSA-N 464.453 3.791 10 10 JHCE COc1ccc(OC)c(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 35623339 ZCXWRXIGDQYBPS-PXNMLYILSA-N 462.465 3.749 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cc(C)cc(C)c3)c3ccco3)CC2)cc1 38619599 NQMZOWMTMFZZJJ-XMMPIXPASA-N 476.577 3.523 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2c(C)cccc2C)[C@@H]2CCS(=O)(=O)C2)cc1 54310881 WBNBLTFJYDMLDJ-HSZRJFAPSA-N 458.624 3.744 10 10 JHCE C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 65062329 GQYKMFKSBDYTLX-OAHLLOKOSA-N 470.060 3.821 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)CC[C@@H](O)c3ccc(C(C)(C)C)cc3)cc2)CC1 1638588158 YYBQBRLUGNZCRJ-RUZDIDTESA-N 451.611 3.783 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865027635 OTMOCBXABGIPDG-NYHFZMIOSA-N 460.534 3.688 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCCCN(C)C)C2=O)cc1 1873165667 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CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018186 FDLQBTIVOJNMPH-SPLOXXLWSA-N 480.540 3.653 10 10 JHCE CCCN(CCC(=O)OCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(CC)n1 1867955254 HNNBHLYJQNUEBD-UHFFFAOYSA-N 455.603 3.544 10 10 JHCE CCC[C@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868936107 BOJBVIFIAUJLRH-VWLOTQADSA-N 479.621 3.909 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O 2294095518 VALUGEYWWHEKIF-UHFFFAOYSA-N 465.687 3.873 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1[N+](=O)[O-] 2313549017 LHSNWKFXIZJJBZ-UHFFFAOYSA-N 474.267 3.649 10 10 JHCE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2c1 2314650617 RLOSGJONXXTMGU-IBGZPJMESA-N 496.658 3.625 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)cs1 11857722 NISZUHXSHCXJHT-ZDUSSCGKSA-N 459.549 3.956 10 10 JHCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)cc1 11858055 UHAHJDDYAGSTPQ-UHFFFAOYSA-N 459.549 3.673 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=N)N21 20206879 JQYDCKJQKQDZGJ-MQIWZSEOSA-N 469.592 3.722 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cccc(C)c2C)[C@@H]2CCS(=O)(=O)C2)cc1 40315193 GDZPOGZOARJUGY-JWQCQUIFSA-N 474.667 3.579 10 10 JHCE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413198 AZCCSVATTLSHSL-GEBKJHSDSA-N 454.939 3.951 10 10 JHCE Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 96460921 MEFONMIFJLJWDS-AMWUQPRHSA-N 469.592 3.802 10 10 JHCE CCN1/C(=c2/s/c(=C3\SC(=S)N(C4CCCCC4)C3=O)n(CC)c2=O)C=Cc2ccccc21 100193235 ZGHULPYIPMPTDH-MMLSESBDSA-N 497.711 3.892 10 10 JHCE COc1ccc(N2CCN(CCNC(=S)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 742910311 DLFAEFSTOINNNK-UHFFFAOYSA-N 454.518 3.702 10 10 JHCE C[C@@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(N2CCOCC2)cc1Cl 765806421 CEMQIFSRYMGDQH-QGZVFWFLSA-N 450.004 3.567 10 10 JHCE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1 790266902 RLPCNWILBNXTBZ-UHFFFAOYSA-N 452.492 3.806 10 10 JHCE CC[C@H](C)N1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 1772719553 NRKGDVNOZSTJOC-OZCWKAHYSA-N 472.636 3.616 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858610936 WDAIGYIRBKRVGG-UHFFFAOYSA-N 464.499 3.598 10 10 JHCE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCNCc1ccc(N(C)C)cc1 1860708660 ROHQFTAFLVOIEY-UHFFFAOYSA-N 470.614 3.505 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864010947 CJYCRUGFLIKJJJ-HXUWFJFHSA-N 468.941 3.525 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(F)c(F)c3F)cc1C2=O 1873911313 LZBNWGOALOTJCB-UHFFFAOYSA-N 497.381 3.982 10 10 JHCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1890571125 JUADTIJAJKTQTJ-DMGDPNCRSA-N 462.619 3.534 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2294095489 TVWYZGDRILTBFI-UHFFFAOYSA-N 486.480 3.947 10 10 JHCE Cc1c(C(=O)O)cccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 2297334849 GNHSGEPAOHQVRY-UHFFFAOYSA-N 450.447 3.924 10 10 JHCE COc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CCC(C)CC4)s3)CC2)cc1 20576416 XLRJPDIAKFMDGP-UHFFFAOYSA-N 452.628 3.896 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 35518245 YHMCRBNTGIRZMY-XMHGGMMESA-N 486.575 3.963 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)sc(C)c1-c1ccc(F)cc1 1860758922 NJYVOEVERXXJHA-APPDUMDISA-N 464.515 3.593 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864012099 RADGGAVXSDWJFX-LJQANCHMSA-N 489.359 3.789 10 10 JHCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864013723 ZHHHDRHJOXFTFQ-HXUWFJFHSA-N 482.968 3.779 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864017172 HEKNNPJZQHZZQQ-HSZRJFAPSA-N 497.555 3.560 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873164060 KHUDCQRRCZPGOY-UHFFFAOYSA-N 458.562 3.651 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(F)cc3)cc1C2=O 1873861027 FWLWRSRFKDOONP-UHFFFAOYSA-N 461.401 3.704 10 10 JHCE CC(C)CCN(C(=O)/C=C/c1cccc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 15583054 LOFNVUUMGVIIPJ-BUHFOSPRSA-N 483.572 3.808 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4C)c(OC)c3)C(=O)N=C2S1 20208388 OWRVJEUWPMOQRI-PUYZJMEQSA-N 498.586 3.594 10 10 JHCE COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccn3C)C[C@@H]2c2cc(OC)ccc2OC)cc1 35963799 ONTSOBMUAMTGJX-XMMPIXPASA-N 490.560 3.501 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(=O)c4ccccc4o3)c3ccco3)CC2)cc1 38598200 VCYBZJMRCIMATM-JOCHJYFZSA-N 473.529 3.688 10 10 JHCE COc1cc(NC(=O)N2CCC(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc(OC)c1OC 64846856 RHZQGXYGUVEQOA-UHFFFAOYSA-N 484.597 3.729 10 10 JHCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526387486 JDZGYXJREHAOSQ-SANMLTNESA-N 487.556 3.915 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 1084437015 DRVVWOLKONYIST-LDADJPATSA-N 454.870 3.905 10 10 JHCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705730473 JTZRCDWLWCLYKU-JOCHJYFZSA-N 483.638 3.569 10 10 JHCE O=C(Cc1ccc(Br)s1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858765297 VLDFXCMLQCCFSP-UHFFFAOYSA-N 483.343 3.583 10 10 JHCE CCc1ccc(OCCCC(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862231071 SFSXBUPXOJRHDY-UHFFFAOYSA-N 467.610 3.660 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865027179 VRWZPCGATJHWEF-XMMPIXPASA-N 495.539 3.661 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865031548 JIFPZVPRBCAAPQ-HRAATJIYSA-N 474.561 3.934 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C(/c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868665597 XPWDRLQKFNPPDF-MSPRMREJSA-N 461.606 3.959 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C3(c4ccc(N)cc4)CCCCC3)C(C)C)CC2)cc1 1868933257 XIEZTWASDMAWPW-SANMLTNESA-N 492.664 3.969 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCCc3ccccc3)C2=O)cc1 1873164475 DCXNJIIJFPFZPJ-UHFFFAOYSA-N 470.617 3.958 10 10 JHCE COc1ccc(Br)c(CN=c2[nH]c(CCNC(=O)OC(C)(C)C)cs2)c1O 2236054407 IDEUFCOHFOLYFV-UHFFFAOYSA-N 458.378 3.721 10 10 JHCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccccc1OCc1ccccc1F 2297342235 UVIOPMHQAWXYNM-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)cc(Cl)c1O 2313558529 CXMWYCSBFZNQKG-UHFFFAOYSA-N 455.692 3.779 10 10 JHCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(C)c(OC)cc4C)n3)cc21 11857730 HKEDBLULHSGXQG-UHFFFAOYSA-N 473.576 3.982 10 10 JHCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2O[C@@H]3c2cccc(O)c2O)cc1 15858925 ITUPLJSZKRIPPF-AREMUKBSSA-N 481.508 3.896 10 10 JHCE Cc1ccc(-n2c(C)cc(/C=C/C(=O)N3CCCN(S(=O)(=O)c4c(C)noc4C)CC3)c2C)cc1 33234238 GJPZHTQPRFOTAJ-FMIVXFBMSA-N 496.633 3.944 10 10 JHCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN([C@@H](C)c3ccccc3Cl)CC2)c1 913062386 NQCRVDWCQHXFKB-IBGZPJMESA-N 472.029 3.959 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cccc(C(C)=O)c4)n4ccccc34)CC2)cc1 1858232235 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COc1cc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=S)N=C2O)ccc1OCC(=O)O 34201525 ZSYIUWBELHDKHF-YVLHZVERSA-N 454.504 3.954 10 10 JHCE CCOC(=O)C1=C(C)N=C(SCC(=O)c2ccc(O)c(O)c2)N[C@@H]1c1ccc(OC)cc1OC 59456342 YDNWEZVIYJJIPB-JOCHJYFZSA-N 486.546 3.569 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)cccc21 1860604734 AMGVURAGYNCWFN-UHFFFAOYSA-N 483.480 3.861 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865025948 GMXCOCFBYDDJQF-CMJOXMDJSA-N 492.551 3.886 10 10 JHCE COC(=O)c1c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccccc1 1866204502 MOKOMOBABRLLHN-RTBURBONSA-N 464.543 3.724 10 10 JHCE COc1cccc(-n2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)c1 1866286977 KOCBULRNMDHWGT-RUZDIDTESA-N 489.620 3.573 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc(-n4cccc4)c3)C(C)C)CC2)cc1 1868614806 YQOLLCXQFUQNSJ-VWLOTQADSA-N 460.578 3.589 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCOC[C@H]4C)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869277797 OMMNJRMDYKYUKC-LJQANCHMSA-N 463.557 3.843 10 10 JHCE O=C(C=Cc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O 1903853545 GCJWPRRNLSHTRY-HSZRJFAPSA-N 492.436 3.880 10 10 JHCE CCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)N=C2S1 2297306529 WRUYMTZCFQGSDA-UHFFFAOYSA-N 454.533 3.792 10 10 JHCE O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1CCS(=O)(=O)O 2297478148 RQXRBMGCBPAXPV-UHFFFAOYSA-N 474.925 3.597 10 10 JHCE CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)cc1 20356234 DCLUNKRDBSMWOL-PEHQALCWSA-N 463.519 3.796 10 10 JHCE COc1ccc(N2CCN(c3ccc(N4C(=O)C[C@@H](c5ccccc5)C4=O)cc3[N+](=O)[O-])CC2)cc1 20740482 OBHXIJZLUYYOIA-QHCPKHFHSA-N 486.528 3.977 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54421792 MGIJKCBFDQCAEX-PGRDOPGGSA-N 462.587 3.655 10 10 JHCE CCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1 62694748 HHIQQYSQWQKVAM-UHFFFAOYSA-N 483.609 3.985 10 10 JHCE CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 103604088 LMZTYOBPWLQODW-UQIYEGRLSA-N 452.584 3.555 10 10 JHCE CC[C@@H](C1=NN2C(=N)/C(=C/c3ccc(OS(C)(=O)=O)c(OC)c3)C(=O)N=C2S1)c1ccccc1 137425436 HOIQSKRXWJWZNQ-FWPQHASISA-N 498.586 3.847 10 10 JHCE CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1OC 1084137258 XMPPDRAVAVUWOD-ATVHPVEESA-N 487.350 3.951 10 10 JHCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705730474 JTZRCDWLWCLYKU-QFIPXVFZSA-N 483.638 3.569 10 10 JHCE CC[C@@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862219306 QRIGMDRPJWCIHB-AVRWGWEMSA-N 474.001 3.750 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864013754 ZVMZWIFUJLHOCG-AOMKIAJQSA-N 476.577 3.904 10 10 JHCE CC(=O)NCCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166151 DUSJWAFRWCLDPR-UHFFFAOYSA-N 490.991 3.753 10 10 JHCE CN(C)c1cccc(NC(=O)c2cccc(NC(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)c2)c1 1873895789 SGYAWOBGQNQULV-UYAOXDASSA-N 471.561 3.818 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=N)N21 2297345549 GOKNEEOLUYWKNO-UHFFFAOYSA-N 469.592 3.722 10 10 JHCE Cc1ccccc1COc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl 2297346110 DTJHUXPCGNPJSY-UHFFFAOYSA-N 488.978 3.849 10 10 JHCE Nc1ccc(CC[S@](=O)c2cc(I)ccc2Br)cc1 2338412258 YSJIHNWHABJEIH-IBGZPJMESA-N 450.139 3.986 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C(=O)N=C2S1 20208010 WSDGKSKSLVMCKS-BQLOJNAPSA-N 474.951 3.540 10 10 JHCE COc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(Oc4ccccc4)cc3)=N2)c(OC)c1OC 20925131 TWTBJFHZUKSPKI-HXUWFJFHSA-N 475.501 3.852 10 10 JHCE Cc1ccc(-n2nc(N3CCC[C@@H](C(=O)NCc4ccc(N(C)C)cc4)C3)ccc2=O)cc1Cl 64928754 VSIOGCYXXFZXMM-HXUWFJFHSA-N 480.012 3.793 10 10 JHCE COc1ccc(N2CCN(C(=S)NC(=O)/C=C\c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 206311949 OABHTKFMVBIVSF-WDZFZDKYSA-N 468.579 3.963 10 10 JHCE CCN1C(=O)NC(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)C1=O 1083983513 VIIFDKWQKHQHFP-UNOMPAQXSA-N 482.334 3.965 10 10 JHCE Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1084575138 XTIRZMXDQIPCLK-LDADJPATSA-N 464.478 3.973 10 10 JHCE CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1O 1307662270 RTYWDQIATLBCOH-HSZRJFAPSA-N 455.986 3.557 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(F)cc4F)c4ccccn34)CC2)cc1 1858239348 FJUZZNNXVRMDPG-UHFFFAOYSA-N 491.498 3.836 10 10 JHCE CCCC[C@H](NC(=O)/C=C/c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861934837 SXHFKRPFNBIARK-QLHJLYHHSA-N 465.594 3.741 10 10 JHCE CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862207351 NDCQSTZAUVYDMX-JPYJTQIMSA-N 474.001 3.750 10 10 JHCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016591 SZRIABNVDRJMOH-QFIPXVFZSA-N 498.539 3.518 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865035568 WZGOCFITYOPFMJ-NRFANRHFSA-N 477.565 3.584 10 10 JHCE COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1Cl 1868167403 FBRUTZKEEBOWRX-UHFFFAOYSA-N 483.929 3.927 10 10 JHCE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2294093703 HCBYFPGXSLORAO-UHFFFAOYSA-N 460.417 3.769 10 10 JHCE CC(C)Oc1ccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2328660172 RMEQBLLQPNPAIP-UHFFFAOYSA-N 462.618 3.565 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)sc2c1CCCC2 20371145 DTLDDGKOWROVBH-OAHLLOKOSA-N 469.563 3.754 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 33402792 GWPFSNBHRIUXRY-LDADJPATSA-N 456.545 3.712 10 10 JHCE COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 33690050 GMKMFWGULAJRHE-XDHOZWIPSA-N 480.615 3.771 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1)C(=O)c1cccc(F)c1 35960555 MTMDCTRRHLSOHV-DEOSSOPVSA-N 462.525 3.631 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=N)N21 96459685 OFDJKVMMSKZKDD-QEEMYTIHSA-N 497.989 3.964 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NC4CCCCCC4)c4ccccn34)CC2)cc1 1858224369 SUGDUWPEQOVEDA-UHFFFAOYSA-N 475.593 3.758 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864014443 VFEJQIBCGIEENB-QFIPXVFZSA-N 476.577 3.710 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864017536 OMIYKLKYJCAPJQ-GOSISDBHSA-N 489.359 3.983 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CC(O)C4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1868000386 WLNSCCLPFPNIME-UHFFFAOYSA-N 473.621 3.957 10 10 JHCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cc(C)ccc2C)C1=O 1873167244 YDFGCRJHOQCFTF-UHFFFAOYSA-N 484.600 3.717 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CC(C)(C)C)CC2)cc1 1874642377 CIZPWAISVJZFHM-VWLOTQADSA-N 476.621 3.989 10 10 JHCE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2201000851 AHDKQTOWQLTIHF-AZUAARDMSA-N 473.570 3.897 10 10 JHCE Cc1ccc(COc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1 2297345200 BLFIPLRKHLDFDT-UHFFFAOYSA-N 488.978 3.849 10 10 JHCE O=C(O)CCCNC(=O)CCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314828075 QBWXMZKZVPFLLL-UHFFFAOYSA-N 454.573 3.926 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCNC(=O)COc3c(C)cccc3C)C2=O)c1 2320656184 SABGAGHJBPTJBU-UHFFFAOYSA-N 456.589 3.708 10 10 JHCE Cc1cc2c(N3CCC[C@@H](C(=O)NCc4ccc(N5CCN(C)CC5)cc4)C3)nccc2s1 33174054 YRKJYGAPUDXUNB-OAQYLSRUSA-N 463.651 3.889 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1OCCC(=O)O 210466157 DMONENGLPWGMTI-PDGQHHTCSA-N 490.534 3.624 10 10 JHCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(N(C)C)cc2)N3)CC1 226666668 KKBJKUMSEJVIND-OTNCWRBYSA-N 452.624 3.515 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC 95927312 GCWXKLDKJAWJFA-PXLXIMEGSA-N 476.558 3.859 10 10 JHCE COC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 254699420 QAMNNIUGPGKGJC-DEOSSOPVSA-N 489.641 3.772 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(C)O)C1 1301648097 LYJFFOHJBFNNPL-JOCHJYFZSA-N 478.641 3.818 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCC(C(=O)O)CC4)c4ccccc34)[C@H]21 1860347589 ZVDWMSJRWQGFIR-SANMLTNESA-N 486.572 3.502 10 10 JHCE CC[C@@](C)(NC(=O)c1cc(Cl)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862138520 PJCHLVGIMZQFIT-XMMPIXPASA-N 459.974 3.605 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865034636 AXTAIFZQBPEZIW-HSZRJFAPSA-N 488.588 3.792 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2c(F)cccc2Cl)N2CCCCC2)cc1 1867919175 WOBAJYMQEVYLJS-NRFANRHFSA-N 460.981 3.618 10 10 JHCE CC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868643346 FQYMPVSIPWQSPX-HSZRJFAPSA-N 494.567 3.584 10 10 JHCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1I 2293226885 KDSDTTNJBVMIGB-UHFFFAOYSA-N 476.270 3.665 10 10 JHCE CCOc1ccc(C=CC(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330598722 MKDRYRKSRBPCRH-MHZLTWQESA-N 465.594 3.741 10 10 JHCE CCOc1cc(C=C2C(=O)N(c3ccccn3)N=C2CC)ccc1OCC(=O)N(CC)CC 2332139815 VRIPMSILHHGQIC-UHFFFAOYSA-N 450.539 3.924 10 10 JHCE CCOC(=O)c1sc(N2N=C(C)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)nc1C 33248695 REUXYMTZSFSTBN-XGICHPGQSA-N 478.324 3.926 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)O)CC2)cc1 33253112 JQGIOENBGFBWQG-UHFFFAOYSA-N 481.574 3.829 10 10 JHCE CCOCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 34721154 NKFDGGIKRZSLNZ-OBGWFSINSA-N 490.651 3.549 10 10 JHCE Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)NCCCN1CCCS1(=O)=O 725877095 PLPSVDFAIFIIDH-HXUWFJFHSA-N 498.571 3.907 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)NCc3nc4cc(Cl)ccc4s3)CC2)cc1 726242902 BXUZNMHCDIYXFG-UHFFFAOYSA-N 460.003 3.580 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Cc3c(C)[nH]c4ccc(Br)cc34)CC2)cc1 742919335 FNNWSWFAIGBZHJ-UHFFFAOYSA-N 485.426 3.728 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(I)c1 1083934727 MUXFVEWSDRBSFC-RIYZIHGNSA-N 452.635 3.611 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3-n3c(C)cc(C=O)c3C)cc2)CC1 1138230599 ZHNHZWNHRJKBBU-UHFFFAOYSA-N 458.562 3.505 10 10 JHCE 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10 10 JHCE CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]23)cc1 104746553 YELSCWIASXMNBH-KMDXXIMOSA-N 495.487 3.673 10 10 JHCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@@H](CN4CCCCCC4)C3)cc2F)C[C@@H](C)O1 728686954 ZGXMZOJGNGYQCX-ZDXQCDESSA-N 474.665 3.644 10 10 JHCE CCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862053187 YVFWBADABYHEJL-SANMLTNESA-N 487.600 3.784 10 10 JHCE CCC[C@H](NC(=O)COc1c(C)ccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862200095 ZEABFCGFLFGDQU-DEOSSOPVSA-N 467.610 3.633 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868643506 HOJZIVLBVZZIGC-UHFFFAOYSA-N 494.567 3.584 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871646444 DLIITVAXKKEVBS-UHFFFAOYSA-N 482.032 3.906 10 10 JHCE O=C(O)CCC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951507271 MWFPDKCDAXEZOU-QFIPXVFZSA-N 475.497 3.982 10 10 JHCE COc1cc(C=C2C(=O)NN(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O 2297302806 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Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864009354 FYZQWWKNPSRPPY-NRFANRHFSA-N 482.968 3.923 10 10 JHCE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031378 FREKWZDEWVVIID-FOIQADDNSA-N 460.534 3.594 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)c2nccn2C)cc1 1865920204 URFDQDKFBMRNPZ-SANMLTNESA-N 486.572 3.756 10 10 JHCE CC[C@](C)(NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868939042 AAGOQKWZNQRPCL-DCFHFQCYSA-N 467.610 3.831 10 10 JHCE CCOCCOC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871119192 MMJCFGROZKDWED-UHFFFAOYSA-N 495.576 3.809 10 10 JHCE COc1ccc([C@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079847644 WMNZGFLLOQXJHC-ZDUSSCGKSA-N 495.239 3.709 10 10 JHCE CO[C@@H]1Oc2c3c(c(CC=C(C)C)c(O)c2C(=O)[C@]1(O)c1ccc(O)c(O)c1)OC(C)(C)C=C3 2112807299 TUJXJNLMVAEOTM-AOYPEHQESA-N 468.502 3.932 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(I)o3)C2=O)cc1Cl 2294124656 QIISJHBYLSRNCO-UHFFFAOYSA-N 456.623 3.512 10 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459.545 3.698 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3cccc(OCC(F)(F)F)c3C)CC2)cc1 727937576 FSXGOBFICHDKSP-UHFFFAOYSA-N 466.504 3.888 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 1084195306 DDODMASGWOHUMC-NDENLUEZSA-N 491.431 3.988 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N2CCC[C@H]2C(=O)O)sc(C)c1-c1ccc(Cl)cc1 1860759365 YRVVUOXOAQULDU-AWEZNQCLSA-N 464.927 3.568 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864007391 LVFXNVASHLHKJJ-QHCPKHFHSA-N 468.513 3.603 10 10 JHCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864007649 REJDRNQHBAEDPI-OAQYLSRUSA-N 492.919 3.849 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865025644 BDKDMUIWKPKAMO-CMJOXMDJSA-N 492.551 3.886 10 10 JHCE Cc1cc(C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1F 1867167180 TXCQXNYKZMEQJT-INIZCTEOSA-N 496.498 3.852 10 10 JHCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871727691 QMEOLZVEYMYVHE-UHFFFAOYSA-N 469.593 3.769 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(N(C)C)cc3)cc1C2=O 1873894598 QRARJENMMMFYSF-UHFFFAOYSA-N 486.480 3.631 10 10 JHCE O=C(O)[C@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1cc(I)ccc1O 1952826307 WRSWEQSDLCJPCA-WMLDXEAASA-N 467.259 3.781 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1O 2313549026 LLVRLTIQYBDIDE-UHFFFAOYSA-N 465.687 3.792 10 10 JHCE Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)C(=C3C(=O)Nc4ccccc43)SC2=S)c1 2314716884 YABPKZSZHYBPHC-UHFFFAOYSA-N 467.572 3.752 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314932109 KNPKFTIUWVFPHY-NSHDSACASA-N 492.962 3.747 10 10 JHCE CC[C@H](C)NC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945267 FMFXJDNUVWQJKB-AWEZNQCLSA-N 459.593 3.622 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 20235148 QLFZVABGKCAIIG-QCIUGURRSA-N 493.545 3.750 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4cccc(C(C)=O)c4)n3)CC2)cc1 33309925 CHEWPCAWUQBPKP-UHFFFAOYSA-N 477.590 3.745 10 10 JHCE Cc1c(N2C(=O)/C(=C/c3cccc(OCCC(=O)O)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 210424450 DUPGVDNAJOQCJP-RGEXLXHISA-N 495.582 3.744 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2=O)cc1 1084027951 OEDOMHGYWLUEIH-RGEXLXHISA-N 464.478 3.650 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3F)n2CCCSc2nccs2)C1 1286851367 LAEVINSHMTXPLS-GOSISDBHSA-N 488.658 3.952 10 10 JHCE CC(=O)N1CCN(Cc2cccc(NC(=O)c3ccccc3-n3c(C)cc(C=O)c3C)c2)CC1 1556231713 LTSXGVQFTCDESE-UHFFFAOYSA-N 458.562 3.823 10 10 JHCE COc1ccc(N2CCN(C(=O)/C=C/c3cc4cc(Br)ccc4[nH]c3=O)CC2)cc1 1858098183 FFYMOKVRPLPBSK-XNWCZRBMSA-N 468.351 3.661 10 10 JHCE COc1ccc(Br)c(CNC[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c1O 2236054522 JIVWRDKGBLOEID-NSHDSACASA-N 451.308 3.898 10 10 JHCE CCOC(=O)c1sc(N2N=C(C)C(=Cc3cc4c(cc3Br)OCO4)C2=O)nc1C 2296659711 REUXYMTZSFSTBN-UHFFFAOYSA-N 478.324 3.926 10 10 JHCE O=C(CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2297313934 CKEWGJNHCHLNNL-UHFFFAOYSA-N 454.529 3.877 10 10 JHCE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2314509819 ZDGACZGPPLGPCB-HNNXBMFYSA-N 495.582 3.876 10 10 JHCE CN(Cc1nn(C)cc1I)c1ccc(CNC(=O)OC(C)(C)C)cc1 2319165967 XPXMFYDZGBGRDX-UHFFFAOYSA-N 456.328 3.686 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=N)N21 20206706 KIGBCCYTYDMLMD-RMXFNUKNSA-N 488.978 3.930 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1[N+](=O)[O-] 33417624 PQYCJMQKTKIYDO-LICLKQGHSA-N 457.489 3.554 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)/C=C\c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 33560636 ZQLZVGHQVGQUMS-MMIRBSHRSA-N 456.608 3.771 10 10 JHCE CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCC(=O)N1CCCCC1 40942126 RGRSMBKGGUASPV-XNTDXEJSSA-N 485.425 3.728 10 10 JHCE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 105487176 AKTDOMMTCABGMC-FDFHNCONSA-N 482.448 3.598 10 10 JHCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1O 1084455908 SFEIQDSMIUELNI-ZSOIEALJSA-N 459.296 3.837 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc4nc(C(C)C)[nH]c4c3)CC2)cc1 1862103335 KVMLDRXOGWVMMI-XMMPIXPASA-N 475.593 3.648 10 10 JHCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864013341 WIGNMWZQBCUTOS-QFIPXVFZSA-N 494.567 3.901 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864022164 VDKUICZRLOFOLG-NRFANRHFSA-N 462.550 3.524 10 10 JHCE CCCCOc1cn(Cc2cccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870660483 ATHZVLHBMYEJSG-UHFFFAOYSA-N 462.594 3.801 10 10 JHCE COC(=O)c1c(C2(C)CC2)nn([C@H](C)c2ccc(OC)cc2O)c1I 2080043260 RPOWFAHDGFLBLN-SNVBAGLBSA-N 456.280 3.649 10 10 JHCE Cc1ccc(S(=O)(=O)Oc2ccccc2C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 2293218319 DLEONPCFMSJIAO-UHFFFAOYSA-N 494.476 3.944 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)N1CCN(CCc2ccccn2)CC1 2314627702 XGNDLNOGHDVQHJ-UHFFFAOYSA-N 486.688 3.511 10 10 JHCE O=C(O)CCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314842313 NUEMTFYNJZTLDP-UHFFFAOYSA-N 481.187 3.983 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1)C(=O)O 2314926876 USNJEWOMKPXWPL-SJLPKXTDSA-N 457.529 3.956 10 10 JHCE Cc1c(N2C(=O)C(=Cc3cccc(O[C@H](C)C(=O)O)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2314930331 BDOJPOXUDUVJMA-OAHLLOKOSA-N 495.582 3.742 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c(C(=O)O)c1OC 16906223 HJBNQMASZGACBR-NTEUORMPSA-N 478.935 3.602 10 10 JHCE CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 59860580 VXKMGJPRENXZAU-NBVRZTHBSA-N 457.324 3.942 10 10 JHCE CN(C)c1ccc(CN(C[C@@H](O)COc2ccccc2Br)C[C@H]2CCCO2)cc1 256038701 RGQWTMYNMCUKPP-NHCUHLMSSA-N 463.416 3.936 10 10 JHCE CC[C@H](C)[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1616044627 JEMXXGADCPKTBD-IFTMGIRTSA-N 474.605 3.702 10 10 JHCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)NCc1ccco1 1705480927 ZDCJRLJJVLDVRM-SFHVURJKSA-N 456.550 3.720 10 10 JHCE CCCC[C@@H](NC(=O)c1ccccc1OCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862054057 ILQBPFFZCYUMQL-HSZRJFAPSA-N 453.583 3.731 10 10 JHCE CC[C@@H](NC(=O)CCCOc1c(C)cccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862208366 RNKVDOBMMMDVCA-XMMPIXPASA-N 467.610 3.715 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864010315 RSIZSBZTQRDOQO-QFIPXVFZSA-N 480.540 3.647 10 10 JHCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CC1)[C@@H]2c1ccc(O)c(O)c1 1864014901 FUUXGGRUCLHUFG-HXUWFJFHSA-N 460.534 3.591 10 10 JHCE CCOC(=O)CCN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2)n1 1867967709 CQRKYONTZLNEGT-UHFFFAOYSA-N 475.593 3.868 10 10 JHCE CC[C@@](C)(NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868807408 WANAOYCXCGEUTD-HHHXNRCGSA-N 476.577 3.526 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc5c(c4)OCO5)n(-c4ccccc4)n3)CC2)cc1 1869969989 CBEDQVGSTNQWDU-UHFFFAOYSA-N 498.543 3.584 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(CCc3cccs3)C2=O)cc1 1873164812 SYJBILTZDIKPAY-UHFFFAOYSA-N 462.619 3.629 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873167457 IGLFVIFFZNSOSK-VWLOTQADSA-N 490.648 3.819 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 2296885140 FJIXXWBYUBDLSF-UHFFFAOYSA-N 467.616 3.635 10 10 JHCE COc1cccc(OCCCOc2ccc(C=C3C(=N)N4N=CSC4=NC3=O)cc2OC)c1 2297365671 HCWRXKMVWLUDMX-UHFFFAOYSA-N 466.519 3.801 10 10 JHCE Cc1ccc(N2C(=O)C(=C3C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)cc1Cl 2313621576 VGPZPWFIFQKGLK-UHFFFAOYSA-N 499.061 3.976 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)O)CC2)cc1 32961655 TXBQGILVVXDLHC-UHFFFAOYSA-N 473.576 3.582 10 10 JHCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 33529807 QENLOFPLQLUFCG-LDADJPATSA-N 484.603 3.836 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152143 DWXMFOHZQGOWHT-BOPFTXTBSA-N 471.516 3.611 10 10 JHCE O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 210755255 GDOSWXBZXDNQSN-QGOAFFKASA-N 459.593 3.911 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012105 RCWABYIYDASHKM-QHCPKHFHSA-N 492.551 3.934 10 10 JHCE COc1ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867308223 CRWMTBRBBQNVTO-DEOSSOPVSA-N 466.626 3.613 10 10 JHCE CC(C)c1ccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1 2297345331 NJPVBFCVIMJYTH-UHFFFAOYSA-N 496.570 3.650 10 10 JHCE N=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N=C2SC=CN12 2297360985 DDNWKHKLWXRNRN-UHFFFAOYSA-N 490.360 3.994 10 10 JHCE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 2297361493 BERMZOOJTUTLGT-UHFFFAOYSA-N 452.879 3.870 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 20356520 YVSDTUCUCDMRIQ-XXWDETEYSA-N 479.518 3.570 10 10 JHCE CCOc1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 56943721 LGKUGDUSDWBAKE-RUZDIDTESA-N 479.577 3.745 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 210747698 XIAYAOHPCVHAIZ-GHRIWEEISA-N 495.673 3.796 10 10 JHCE CC[C@H](Oc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O)C(=O)O 1772761874 FGEIIMVYZYDFPV-YFCLQTKISA-N 457.529 3.956 10 10 JHCE CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(C(C)(C)C)cc2)s1 1858033521 FLKIKAXGDHVRCT-UHFFFAOYSA-N 458.565 3.826 10 10 JHCE CCc1nc2ccc(C(=O)N[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)cc2[nH]1 1861890592 FVFDOMZSVHRKLS-HHHXNRCGSA-N 497.599 3.954 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(Cc5ccccc5)[nH]c4c3)CC2)cc1 1861895743 WULCYDQZRPJNCB-HXUWFJFHSA-N 497.599 3.629 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864018873 SXKRJAUGAAJNKN-QRFQSNJMSA-N 489.576 3.630 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCCC[C@H]4CCO)nc(-c4cccnc4)n3)CC2)cc1 1868004108 JRQGJJOUXQJVMI-QHCPKHFHSA-N 474.609 3.615 10 10 JHCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873166158 FCQARCCYCNHHCY-UHFFFAOYSA-N 498.627 3.604 10 10 JHCE CNC(=O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079163041 ZUMNPGJYCJUDNO-UHFFFAOYSA-N 493.145 3.639 10 10 JHCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NC(=O)CCc1ccc(N)cc1 2140758706 ILHMSUBYSCPAML-UHFFFAOYSA-N 464.607 3.516 10 10 JHCE Cc1ccc(NC(=O)COc2cccc(C=C3SC(=S)N(CC(=O)O)C3=O)c2)cc1C 2297366018 JXSNWKIGHUVEIP-UHFFFAOYSA-N 456.545 3.607 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314831504 MMYCNLQXPBOSJS-UHFFFAOYSA-N 480.608 3.534 10 10 JHCE COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 102464038 MXTMOPZCVOHMJT-WKCGMSKDSA-N 475.530 3.587 10 10 JHCE COc1ccc(C)cc1S(=O)(=O)N(CCN(C)C)c1cccc2c1C(=O)c1ccccc1C2=O 586247853 UUIIXGGDRHYSTH-UHFFFAOYSA-N 478.570 3.536 10 10 JHCE CC(=O)c1cc(F)cc(CN2CCC(CO[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1O 1307977938 ZKYFTPILVWKLRW-FQEVSTJZSA-N 450.551 3.972 10 10 JHCE CCCCN1C(=O)C[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@@H]1c1cccc(OC)c1OC 1860320650 OZDSVGYAZREOSE-OZXSUGGESA-N 495.620 3.751 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864014212 PLHCCSSKFBPYIG-FQEVSTJZSA-N 456.587 3.760 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@H]2c1ccc(O)c(O)c1 1864016428 OZTMYLVKRHESLG-FQEVSTJZSA-N 472.501 3.585 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865030285 HIPUTDJTJGOOND-KSFYIVLOSA-N 489.576 3.727 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033695 GQSOXMMQPDTUSO-DYVFJYSZSA-N 494.514 3.922 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2080039236 VHFPYUAYDGKNQE-OAHLLOKOSA-N 468.291 3.951 10 10 JHCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)c1cc(I)cc(I)c1O 2234171901 PRIYVRYTTOAZIH-NXEZZACHSA-N 498.062 3.563 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1C 2297345866 JJAQQDQIWWCBRE-UHFFFAOYSA-N 498.586 3.594 10 10 JHCE COc1ccccc1OCCCn1cccc1C=C1C(=N)N2N=C(N3CCCC3)SC2=NC1=O 2297352781 WCVXYJMVRCLTPP-UHFFFAOYSA-N 478.578 3.638 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934274 GUOKYRGTCAECNZ-CQSZACIVSA-N 486.571 3.792 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1cccs1 20356278 DMMFLWWYLVDFCK-QDAPBRAVSA-N 481.559 3.648 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 54310877 DNWJWNZKCKPRBW-HXUWFJFHSA-N 465.015 3.781 10 10 JHCE O=c1sc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2n1Cc1ccccc1 64727888 LLCPRUVOTPDTSN-UHFFFAOYSA-N 454.558 3.917 10 10 JHCE O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858587170 PBWGGDLVCYGSCM-DKLCPLSMSA-N 465.556 3.886 10 10 JHCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011574 VMAFSFOAVQMVGN-NRFANRHFSA-N 462.550 3.764 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(O)ccc(Cl)c3c2=O)N2CCCCC2)cc1 1866466289 ALQBNQBFOYPQJD-HXUWFJFHSA-N 468.985 3.910 10 10 JHCE COC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870874917 IDBJATZYRUPRMD-UHFFFAOYSA-N 465.550 3.918 10 10 JHCE O=C(N[C@@H]1COCC[C@@H]1NCc1cc(Cl)cc(Br)c1O)OCc1ccccc1 2031531836 FPVDZQLSKGXRLK-ZWKOTPCHSA-N 469.763 3.982 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1C(=O)O 2295923703 IKLXSEBNHNTIOI-UHFFFAOYSA-N 470.528 3.734 10 10 JHCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 2296712221 LBOSNHFGOXBNRC-UHFFFAOYSA-N 481.599 3.507 10 10 JHCE COc1cc(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1O 2297331133 MNMGIIHDFQDVBS-UHFFFAOYSA-N 465.687 3.792 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c(OC)c1 2313541654 SLQXWTGQHQLQFY-UHFFFAOYSA-N 479.470 3.703 10 10 JHCE COCCN1C(=O)C(=Cc2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 2314506823 FTGVGPQXJPJLRM-UHFFFAOYSA-N 467.572 3.951 10 10 JHCE O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c1 14476169 NHGFHRLVHFVRSR-AEFRCRGFSA-N 471.535 3.584 10 10 JHCE CC(/C=C1\SC(=S)N([C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)C1=O)=C\c1ccccc1 15051103 CKFRVFUZTKIDSJ-LJWICLCPSA-N 478.551 3.864 10 10 JHCE COC(=O)c1ccc(N2CCN(C3=NC(=O)/C(=C/C=C\c4ccccc4)S3)CC2)c([N+](=O)[O-])c1 33372387 IBEGFLHLUKAZFD-IGGUYTDASA-N 478.530 3.730 10 10 JHCE CCOc1ccc(Br)cc1/C=C1\C(=O)N(CCOC)C(=O)N(c2ccccc2)C1=O 33709718 XRCXMFYTHBKHPM-NBVRZTHBSA-N 473.323 3.873 10 10 JHCE CCCCOc1ccc(/C=C2/SC(=S)N(NC(=O)CCN3CCCCC3)C2=O)cc1OC 35519693 LVWURLSVCBCNPE-CAPFRKAQSA-N 477.652 3.983 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(C(=O)O)cc1 214754813 GQSLMRLMRFMLQE-LFIBNONCSA-N 457.489 3.523 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)C(C)(C)c3ccc(Br)cc3)CC2)cc1 742919104 CSYMODCFZGGAAS-UHFFFAOYSA-N 460.416 3.674 10 10 JHCE COc1cc(N2CCN(C(=O)c3c(Cl)ccc(Cl)c3OC)CC2)cc(OC)c1OC 1857945532 YROWNSSLQPMZJS-UHFFFAOYSA-N 455.338 3.990 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1OC 1859573320 MNBNRAKXLCTAPC-UHFFFAOYSA-N 459.549 3.821 10 10 JHCE Cc1ccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(O)cc2=O)cc1Cl 1859616453 JAURCBNUEJKFHM-UHFFFAOYSA-N 485.883 3.928 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009357 FZKSJJUERUEHDL-HXUWFJFHSA-N 468.941 3.677 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865035476 UYQXZSWKHHMYPM-VWKPWSFCSA-N 468.598 3.712 10 10 JHCE CC[C@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868837212 BYYXACPUZHJAGL-JTSKRJEESA-N 488.426 3.805 10 10 JHCE COc1ccc(N2CCN(c3nc(Nc4cc(NC(C)=O)ccc4C)ncc3[N+](=O)[O-])CC2)cc1 1871311605 DVVBDYXOWAJNCF-UHFFFAOYSA-N 477.525 3.730 10 10 JHCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccc(Br)cc1 2042449791 GTUYHAGPWOSRFR-UHFFFAOYSA-N 491.388 3.809 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cccc21 14019032 ALZBRNNHSUTYGS-KRWDZBQOSA-N 474.538 3.501 10 10 JHCE COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)c2C)c1 20208755 YAKMPESRWROVJE-BOOXIQSJSA-N 499.618 3.750 10 10 JHCE Cc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)c(C)c1 33415605 JOCPGXUFMBQAKT-DQRAZIAOSA-N 478.643 3.631 10 10 JHCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C)c3ccc(OC(F)(F)F)cc3)CC2)cc1 96310884 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3.829 10 10 JHCE COc1ccc(-c2csc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)n2)cc1OC 727243178 UQMWMFPULJZGJU-UHFFFAOYSA-N 456.549 3.873 10 10 JHCE COc1ccc(N2CCN(Cn3nc(COc4ccc(Cl)cc4)n(C)c3=S)CC2)cc1 915795569 CDXYYGYYABUDIF-UHFFFAOYSA-N 460.003 3.972 10 10 JHCE COc1ccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)cc2C)cc1 1859616692 ZBDHTTMNENKPCR-UHFFFAOYSA-N 465.465 3.577 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc4c5c(c(=O)oc4c3)CCCC5)CC2)cc1 1860248797 CZIUWEKBRXWBSC-SFHVURJKSA-N 462.546 3.797 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)CC2)cc1 1862074226 UGXACRUGAYHWER-HHHXNRCGSA-N 482.584 3.866 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864016201 JMUMOLNOUBLHIK-OAQYLSRUSA-N 483.528 3.566 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865033243 VIYZGGYVNAKKPW-UZUQRXQVSA-N 488.588 3.858 10 10 JHCE CCc1cccc(CC)c1N1C[C@@H](C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865925511 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COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccccc3)C2=O)cc1Cl 2293228328 XUHDGRAAVVOZKB-UHFFFAOYSA-N 465.893 3.896 10 10 JHCE CCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)N=C2S1 2295916606 HSYQUEVQKCCVNL-UHFFFAOYSA-N 454.533 3.874 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OC(=O)c1cccs1 2297364676 BMKURPOEYNTTMJ-UHFFFAOYSA-N 466.446 3.781 10 10 JHCE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2533300 QIQYGQKZZRLNHQ-FMQUCBEESA-N 451.573 3.962 10 10 JHCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c(OC)c1 20356369 WICGBDZJACXWJW-SCORJZKRSA-N 478.578 3.784 10 10 JHCE O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccc(F)cc1 59500984 UGJYPFRFWADWBH-FSSWDIPSSA-N 455.441 3.516 10 10 JHCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 213211364 HPJOJQDMJVTOBA-ATVHPVEESA-N 481.555 3.780 10 10 JHCE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705829288 MFBYYPJVLWMORP-UHFFFAOYSA-N 462.598 3.967 10 10 JHCE 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480.540 3.655 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030894 TZGUHOBFGOQNQN-NRFANRHFSA-N 462.550 3.620 10 10 JHCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC[C@@H]2C)=C(N)O3)cc1 1865034140 QGZNEPJXZKYCGJ-BTYIYWSLSA-N 490.560 3.603 10 10 JHCE CC(=O)NCCN1C(=O)C(NC2CCCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168214 MYBZMIRSLYECAK-UHFFFAOYSA-N 462.594 3.623 10 10 JHCE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2294093750 LNSAZFMGWKFRPI-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE COCCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 2296851491 GCGOWJMBKYBOEW-UHFFFAOYSA-N 471.535 3.864 10 10 JHCE O=C1NC(=S)N(c2ccc(I)cc2)C(=O)C1=CC=CNc1ccccc1 2297056457 FITMVKUFQVJOBE-UHFFFAOYSA-N 475.311 3.591 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)C2=O)cc1 2297617253 TXEYHEQHEMYQAF-UHFFFAOYSA-N 481.486 3.890 10 10 JHCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)c1)C(=O)O 2314926791 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475.345 3.799 10 10 JHCE O=C(O)Cc1csc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)n1 16922683 UIRSHNMLVUKVLH-QPEQYQDCSA-N 499.542 3.602 10 10 JHCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)c4cc(-c5ccccc5)ccc4[nH]3)CC2)cc1 1858536810 HQYFMMBQXJNMEI-UHFFFAOYSA-N 483.572 3.584 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCCO2)sc(C)c1-c1ccc(OCC)cc1 1860762666 NCABPJXKPCKALY-QGZVFWFLSA-N 460.552 3.533 10 10 JHCE CC[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861927956 CRFZMYYRADZJGB-HXUWFJFHSA-N 450.366 3.859 10 10 JHCE CC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862262903 VIVMRTSDQOXGNE-DEOSSOPVSA-N 453.583 3.587 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864022901 ZUKPALRVXVEPTA-OAQYLSRUSA-N 480.540 3.663 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865028979 CQMZJZQFISLOLU-QFIPXVFZSA-N 474.561 3.943 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccccn3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665263 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COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3ccc(Cl)cc3Cl)CC2)cc1 2330422813 DYOTXRQHKJKJHY-INIZCTEOSA-N 462.377 3.869 10 10 JHCE CN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2533363 DBQDBYNFVNIQST-WUKNDPDISA-N 488.388 3.636 10 10 JHCE O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1 14551055 PNBCQCZXVBXRPU-QUZFRVLNSA-N 455.536 3.879 10 10 JHCE CCN(c1ccc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2c1)S(C)(=O)=O 35511578 AZRRHSNSGAWUEN-UHFFFAOYSA-N 473.620 3.658 10 10 JHCE Cc1ccc(S(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)o2)cc1 40322815 BMUZCFURZUXYRF-OAQYLSRUSA-N 455.580 3.520 10 10 JHCE C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(N2CCOCC2)cc1 109190974 UHQZEVZGWAYRRP-DVECYGJZSA-N 459.546 3.561 10 10 JHCE COc1ccc(C)cc1C1(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCOCC1 725865821 PJLRLJSPEXLGNN-OAQYLSRUSA-N 467.610 3.949 10 10 JHCE CC(C)CNC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858844063 CQENHSSIMQINIX-UHFFFAOYSA-N 472.501 3.652 10 10 JHCE CCOc1ccc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 1860714278 VCKZMFXYGKVURY-UHFFFAOYSA-N 458.514 3.988 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@@H]2c1ccc(O)c(O)c1 1864010439 SJXHWPRAPJOLBJ-LJQANCHMSA-N 488.466 3.652 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864022862 ZGKATUINRJFWBD-NRFANRHFSA-N 462.550 3.586 10 10 JHCE CC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867164574 ROBZMBLDYQKPLN-LJQANCHMSA-N 480.480 3.659 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2)c(C(=O)O)c1 2297363363 GCPVSCFNRRBSRE-UHFFFAOYSA-N 460.417 3.769 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1[N+](=O)[O-] 2313549317 SREYDAKIHYIQFC-UHFFFAOYSA-N 474.267 3.649 10 10 JHCE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 2313558176 UVAWYXMFTZPOPY-UHFFFAOYSA-N 461.449 3.906 10 10 JHCE CC(=O)N[C@@H](CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C)c1ccccc1 9285847 NLOVXYBEOJYDLY-QFIPXVFZSA-N 462.502 3.816 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 15044772 DEIFPLUQMXTQNN-CYVLTUHYSA-N 494.635 3.924 10 10 JHCE CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(c4nccnc4Oc4ccccc4)C3)cc2)CC1 33289165 ITDIWRSCFOBFEC-HSZRJFAPSA-N 486.620 3.554 10 10 JHCE Cc1cccc(N2C(=O)/C(=C3\C(=O)N(CN4CCOCC4)c4ccccc43)SC2=S)c1C 35154405 CMVNHBSLYWGTRY-QZQOTICOSA-N 465.600 3.716 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(C)cc3C)c3ccco3)CC2)cc1 38607151 XECNRDJAXOEKAM-QHCPKHFHSA-N 469.607 3.747 10 10 JHCE Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCSC4)C3=O)c2C)ccc1Br 98065941 WAFHSEYTTUQRBB-OAQYLSRUSA-N 476.396 3.775 10 10 JHCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCC(OC)OC)cc1 205960147 JANHTLBQKINKQR-XSFVSMFZSA-N 452.536 3.538 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(N4CCC(Cc5ccccc5)CC4)nn3)CC2)cc1 585155461 HWDJZPRAQHKHQW-UHFFFAOYSA-N 471.605 3.907 10 10 JHCE O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 731400421 CZIPKASUWHEQRD-NRFANRHFSA-N 475.636 3.514 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc(OC)c3)c3ccccc3)CC2)cc1 1862047573 ZDVBKBLAMBSXRN-RUZDIDTESA-N 459.546 3.524 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014684 AEZBJZULQMEWPW-PXAZEXFGSA-N 488.466 3.912 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022110 SZIYFAFOAVLUGV-JOCHJYFZSA-N 476.577 3.629 10 10 JHCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC[C@H]2C)=C(N)O3)cc1 1865034141 QGZNEPJXZKYCGJ-QVKFZJNVSA-N 490.560 3.603 10 10 JHCE CCN1C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)SC1=S 2293285396 CKAAMTKLOVEWNX-UHFFFAOYSA-N 450.519 3.584 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1OC 2296881425 GUMNWVBKHOKOMR-UHFFFAOYSA-N 497.642 3.644 10 10 JHCE O=C(O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 2297329482 YSKACHFVVUBOHW-UHFFFAOYSA-N 485.732 3.942 10 10 JHCE O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 2297576522 IKDCNETVMZNMJB-UHFFFAOYSA-N 472.504 3.745 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O)C(=O)O 2314926355 HJDHQHGNBQSRJE-OAHLLOKOSA-N 459.501 3.738 10 10 JHCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15044725 CNGQCNHFNGOLPO-QINSGFPZSA-N 485.425 3.802 10 10 JHCE C[C@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 15048870 HVIKZMXDRCFYQQ-HLPMDPMVSA-N 470.395 3.840 10 10 JHCE CN(C)c1ccc(CN(C(=O)Cc2coc3ccc(Cl)cc23)[C@H]2CCS(=O)(=O)C2)cc1 39883239 UBWVPKKYNAZZSK-FQEVSTJZSA-N 460.983 3.911 10 10 JHCE CN(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 72413313 MOXGDSFJIXWCNJ-DEOSSOPVSA-N 497.511 3.568 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@H](CO)Cc1ccccc1 103040683 JYEKEIXDYCFYEZ-DYGKOUCMSA-N 461.008 3.651 10 10 JHCE O=C1C[C@H](c2ccccc2)N(Cc2ccncc2)CCCN(Cc2cccc(F)c2O)CCN1 257178606 GPCYDWVUNWFVAN-RUZDIDTESA-N 462.569 3.882 10 10 JHCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 726566756 CXRHWNNMIDGIHY-LJQANCHMSA-N 499.605 3.678 10 10 JHCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864019004 UDTDXUDJCNMFDV-FQEVSTJZSA-N 480.952 3.532 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867946666 MDSUXEOCMBEAJA-UHFFFAOYSA-N 486.664 3.933 10 10 JHCE CCc1nc(N2CCN(C(=O)C3CCCCC3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869130463 OZQXPEXPUZZHKU-UHFFFAOYSA-N 492.668 3.603 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873163917 CKBBROOTVKPOFV-UHFFFAOYSA-N 471.605 3.701 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3CCCC3)nc12 2053498138 JPMAGESKRZKSLU-UHFFFAOYSA-N 452.561 3.598 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1 2296063120 CDSOKUWRWIWSPC-UHFFFAOYSA-N 478.553 3.865 10 10 JHCE CN(Cc1cc(O)nc2ccccc12)C(=O)CN1C(=O)C(=Cc2cccs2)SC1=S 2296885449 VNPOYQVNWPZXRS-UHFFFAOYSA-N 455.586 3.862 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(SCc4ccc(Cl)cc4)o3)C(=N)N21 2297349911 ASOAETPZMJVZED-UHFFFAOYSA-N 480.980 3.847 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br 2313560807 HKKPVQWTFUVCGJ-UHFFFAOYSA-N 480.112 3.887 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 2314827739 LNHFTLFRIVBMHA-UHFFFAOYSA-N 459.505 3.539 10 10 JHCE COc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O 27527777 KQYNVLHXIHYHRS-WDZFZDKYSA-N 486.091 3.526 10 10 JHCE CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 96460975 VVAZHIKZFKLKIO-CYPXAJCBSA-N 499.618 3.893 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1 210722474 IKKBOFLLRDIBKA-VJGJLOMYSA-N 487.628 3.510 10 10 JHCE CCN(CC)c1ccc(CNC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1F 731346765 USPGCAQPKKDTOV-UHFFFAOYSA-N 462.529 3.755 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)COc3ccccc3Cc3ccccc3)cc2)CC1 1556199912 ZFJUTUAHUAXCAZ-UHFFFAOYSA-N 457.574 3.641 10 10 JHCE CC(C)OC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858845617 WJLUHFWJZLSRJG-UHFFFAOYSA-N 459.458 3.831 10 10 JHCE COc1ccc(OCCNC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1860345243 WMLJHPWGWBBOCJ-UHFFFAOYSA-N 494.551 3.778 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864007583 PXOGJBVLSPCXIB-XMMPIXPASA-N 482.540 3.645 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864013472 BOOSVSYIJQHXST-JOCHJYFZSA-N 492.576 3.547 10 10 JHCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031682 MATGIUGCKJNHFL-INIZCTEOSA-N 482.503 3.974 10 10 JHCE CC[C@@](C)(NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866707338 LLLXKHWJHYKQRO-PWUYWRBVSA-N 483.568 3.988 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@@H](CO)c4ccccc4)c4ccccc34)[C@H]21 2068913554 ZIUZBDXIJVSHCZ-FIPFOOKPSA-N 480.568 3.638 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(=O)O)c1 2297349571 XEAMMCNTRIVHOC-UHFFFAOYSA-N 470.528 3.734 10 10 JHCE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 2314931360 NERVIUSZECBBGN-UHFFFAOYSA-N 462.936 3.740 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)cc1 2330530624 IOEDJZWGBLHNGK-INIZCTEOSA-N 462.377 3.869 10 10 JHCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 16911499 VGHBKMGWUNSNCM-LFIBNONCSA-N 462.936 3.740 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N21 20206836 RVFLDMKEMMFQEI-IQGAPNPZSA-N 488.978 3.930 10 10 JHCE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CC(C)C)C1=O 33364234 CQBNDRLFPWNOQE-SFQUDFHCSA-N 460.625 3.699 10 10 JHCE Cc1cc(/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 97464758 LAJRMSICXGMSIO-STZFKDTASA-N 459.527 3.966 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)cc2)CC1 1634074077 IQIYDLYARHFIJX-OAHLLOKOSA-N 450.366 3.746 10 10 JHCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)CN1CCOCC1 1705606025 VUENNESGAKXASF-NRFANRHFSA-N 460.626 3.780 10 10 JHCE CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(OC)cc4)CC3)nc2)s1 1858434034 LFUGFXBBQPJWEZ-UHFFFAOYSA-N 458.609 3.842 10 10 JHCE CC(C)NC(=O)CCn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826984 NMRYEGPROUKOMB-LDADJPATSA-N 459.593 3.622 10 10 JHCE CCC[C@@H](NC(=O)Cc1cc(OC)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861898770 ZAVKLYVNEWMVRU-HSZRJFAPSA-N 474.001 3.533 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864014442 VFEJQIBCGIEENB-JOCHJYFZSA-N 476.577 3.710 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015974 XZZUTQDCVVLCDK-MRXNPFEDSA-N 474.439 3.523 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865033240 VIYZGGYVNAKKPW-GAJHUEQPSA-N 488.588 3.858 10 10 JHCE Cc1c(Cl)cccc1-n1nc(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)cc1C 1866286006 UXXUFEWCDDXTKF-QHCPKHFHSA-N 490.995 3.822 10 10 JHCE CC[C@H](NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868846253 SAQLGQLVTYFGCC-LOSJGSFVSA-N 451.611 3.987 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4c(Cl)ccc(Cl)c4OC)n(C)n3)CC2)cc1 1869969132 GDLLILOIVCBFTI-UHFFFAOYSA-N 491.379 3.718 10 10 JHCE COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1C 1874186438 DJORTSVOSHOOMA-UHFFFAOYSA-N 477.546 3.946 10 10 JHCE Nc1ccc(-n2ccc(C(=O)NCCNC(=O)OCC3c4ccccc4-c4ccccc43)n2)cc1 2046452978 WEOKQFBDWRHGMK-UHFFFAOYSA-N 467.529 3.723 10 10 JHCE COc1ccc2c(CCNC(=O)CN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)c[nH]c2c1 2297482101 AQTIXNAXSHPNTE-UHFFFAOYSA-N 469.563 3.876 10 10 JHCE COc1ccc(N2C(=O)[C@@H]3[C@H](C=Cc4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 2313626217 IXJIORVRZSWRLY-VXNXHJTFSA-N 479.488 3.731 10 10 JHCE COc1ccc(C=CC(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 2328515085 YRDITZPUDVIWDM-MUUNZHRXSA-N 485.584 3.923 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)O 16915818 WLHGXIDAIXSITA-LICLKQGHSA-N 492.962 3.748 10 10 JHCE Cc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCCC3)SC2=S)cc1 33382716 JOGLHUOEIVRWOI-UDWIEESQSA-N 464.616 3.875 10 10 JHCE CCOc1cc2c(cc1/C=C1\C(=O)N(c3ccc(OC)cc3OC)C(=S)N=C1O)OCO2 33387860 WAXQWODFONRZAP-AUWJEWJLSA-N 456.476 3.503 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(N4C(=O)[C@@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)ccc3Cl)CC2)cc1 103880003 WXTQJHUWKPZDCT-HHLQZUTDSA-N 493.991 3.847 10 10 JHCE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 207084206 OZNFAYQQJAQFDJ-XFXZXTDPSA-N 499.596 3.504 10 10 JHCE CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CC2CCCCC2)(C(=O)O)N[C@H]3c2ccccc2O)cc1 248381991 VOUHYHJTGIEAPZ-IMBSWCNGSA-N 490.556 3.839 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(F)(F)F)CC1 1705979907 CKZWPEJQEKHZBH-UHFFFAOYSA-N 460.504 3.974 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3cn(C)c4ccccc34)NC(=O)OC(C)(C)C)CC2)cc1 1860334427 PVSAWMNRKOKHRG-DEOSSOPVSA-N 492.620 3.972 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864007176 HGZZTPYNMRAEES-FOMLIJIXSA-N 474.561 3.981 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864011046 YOUKIKMJVVWAOB-ZMRJGVPNSA-N 478.593 3.792 10 10 JHCE CCc1ccc(/C(C)=C/C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866685739 OXUWWFBZENWVER-BRGVFWSASA-N 482.536 3.544 10 10 JHCE CCc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1 2296881703 WTJKOMZDADQXPV-UHFFFAOYSA-N 456.545 3.883 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 2313630096 IUPPIVSFCLWTCS-SFHVURJKSA-N 488.407 3.878 10 10 JHCE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1 2314504455 QXLVPDXLVBDHEU-UHFFFAOYSA-N 481.555 3.725 10 10 JHCE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314837821 XCPZRANJWUURLU-NSHDSACASA-N 458.477 3.731 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C=Cc3ccc(C)cc3)CC2)cc1 2328563894 WJJWDTSFHBDWFB-XMMPIXPASA-N 467.635 3.604 10 10 JHCE Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 35124140 AQLMRUSCMWKTTR-JWGURIENSA-N 459.458 3.822 10 10 JHCE CCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 40066402 SJAQBNREGTXUNR-QNGOZBTKSA-N 496.658 3.941 10 10 JHCE CCN(CC)c1ccc([C@H]2N(C(=O)CN3CCCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 59074334 BGSFTRSSNDZZLR-MHZLTWQESA-N 498.693 3.859 10 10 JHCE CCOc1ccc(CC(=O)NCCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 62049949 ZXLWQQQCBXSELS-XSFVSMFZSA-N 456.589 3.654 10 10 JHCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 96450527 OXKMSBAICMZDQC-PTIPPUJDSA-N 470.507 3.993 10 10 JHCE COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 104896115 FUTTZOYCVWVNTJ-FDFHNCONSA-N 471.440 3.529 10 10 JHCE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 213168289 ZDGACZGPPLGPCB-CCNLRRDASA-N 495.582 3.876 10 10 JHCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864010161 JDKMPIWMWLVOFI-HXUWFJFHSA-N 454.571 3.708 10 10 JHCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1865034103 PHZOMGNSJDJHPA-OAQYLSRUSA-N 490.560 3.697 10 10 JHCE CCOc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867529826 LLADIFMQKHWLFE-CPJSRVTESA-N 466.626 3.613 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871484592 OPRSWMIYMVVROE-UHFFFAOYSA-N 461.614 3.561 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873166320 LJYGJEGXBBIFEE-HSZRJFAPSA-N 499.567 3.872 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873168875 NOHNQCURQMABFD-UHFFFAOYSA-N 479.584 3.972 10 10 JHCE O=C(OCc1ccccc1)N1CCOC[C@@H](NCc2cc(Cl)cc(Br)c2O)C1 2034725434 JEOCEUCPYGLYOD-KRWDZBQOSA-N 469.763 3.935 10 10 JHCE COC(=O)c1c(C(C)(C)C)nn([C@H](C)c2ccc(OC)cc2O)c1I 2080038565 RZQHSXYHJBFBBC-SNVBAGLBSA-N 458.296 3.895 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 2297326122 NBDIDQTYGXXQEW-UHFFFAOYSA-N 470.235 3.784 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC[C@H]1NC[C@H]2C[C@H]1CN(Cc1ccccc1)C2 2297737131 AWAQVZBHKDCOEK-IUAQSZDVSA-N 490.692 3.762 10 10 JHCE CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=S)N(CC)C3=O)c2C)sc2c1CCCC2 2313656566 FVBWXDYCEGYNER-UHFFFAOYSA-N 485.631 3.858 10 10 JHCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 16907908 AIGUFJGASMNHHM-LFIBNONCSA-N 462.936 3.740 10 10 JHCE CSc1cccc(-n2c(C)cc(C(=O)COC(=O)COc3ccccc3C(N)=O)c2C)c1 729927941 RYLYMCSMQFESRE-UHFFFAOYSA-N 452.532 3.720 10 10 JHCE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)C)n2)C[C@@H]1C 1869092444 AYLFWHSOWQLTPY-GOTSBHOMSA-N 496.700 3.871 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](C)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869315332 CWTRZKIGXFFYPB-FQEVSTJZSA-N 475.593 3.713 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccccc2NC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 1873894753 XQOZGJXXJLXCEJ-RBUKOAKNSA-N 471.561 3.818 10 10 JHCE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)CCC2 2200987775 KEMBEOSWHZQIMK-AZUAARDMSA-N 473.570 3.897 10 10 JHCE CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1c(O)nc(O)n(-c2ccccc2)c1=O 2297531953 QBYYAOXMKMZYEN-UHFFFAOYSA-N 457.273 3.757 10 10 JHCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c1)C(=O)O 2314931175 LUMUOMAZJOYGNG-MRXNPFEDSA-N 460.508 3.614 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)c(C)n1Cc1ccccc1 20208751 PJINETCFSXPYGV-VQQXQELJSA-N 483.619 3.801 10 10 JHCE COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(Cc2ccccc2Cl)C(=O)N=C1O 33311456 YWLSOCHLLAXBAQ-PDGQHHTCSA-N 455.898 3.688 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCSc2nccs2)CC1 1301720856 DBCMIIFMNRIVBL-UHFFFAOYSA-N 463.032 3.906 10 10 JHCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871539432 XGBQFRSFWCQPFT-UHFFFAOYSA-N 474.396 3.533 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N(C)C)n4Cc3ccccc3)CC2)cc1 1873555280 RJTJWEJJAIZRCL-UHFFFAOYSA-N 470.577 3.517 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2c(O)cccc2Cl)C1 2250305571 SHCUFXNIFWUESQ-UHFFFAOYSA-N 455.983 3.992 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cccc(C(=O)O)c1 2297336504 VERYCEHXQCUFNI-UHFFFAOYSA-N 490.443 3.778 10 10 JHCE N=C1C(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352744 RTDMNUWNRZNTRN-UHFFFAOYSA-N 481.965 3.828 10 10 JHCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O)C(=O)O 2314930808 JNOMLFJVOBSMFW-LLVKDONJSA-N 462.936 3.738 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc(C)c(C)c3)c3ccco3)CC2)cc1 38619618 NYEDAGVYRIYSAR-DEOSSOPVSA-N 476.577 3.523 10 10 JHCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccccc1 96450592 KVJPHFLNESKCDK-NONNEFQTSA-N 452.517 3.854 10 10 JHCE Cc1cccc2c1NC(=O)/C2=C1\SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 101745028 HPYZPOCAHUBEGI-SQFISAMPSA-N 474.361 3.626 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864019871 QZOCSIJAPUCMLI-QFIPXVFZSA-N 476.577 3.824 10 10 JHCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1ccccc1F 1865679435 NFEKTCFYBMJYRR-QPEQYQDCSA-N 451.332 3.849 10 10 JHCE CCC[C@H](NC(=O)c1cccc(N(CCC)CCC)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868604375 IIKFTSMWEBPLJR-VWLOTQADSA-N 495.668 3.964 10 10 JHCE COc1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2)cc1 2293541185 UXTFQPLFJSRGNR-UHFFFAOYSA-N 488.496 3.828 10 10 JHCE Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 2294095292 OHCHHUHHKIWSSY-UHFFFAOYSA-N 469.497 3.987 10 10 JHCE O=C(NN1C(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S)c1ccccc1Cl 2297303524 LSEZUCBATQTHNF-UHFFFAOYSA-N 463.880 3.523 10 10 JHCE Cc1ccc(CN(C)[C@]2(C(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)c(O)c1Br 2380767660 WXMUCEGQGSJYSU-VGOFRKELSA-N 477.355 3.807 10 10 JHCE Cc1cc(C)nc(SCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1 8658960 QVHAPKQHZBGOHO-UHFFFAOYSA-N 453.520 3.748 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1 33447921 IFEIJYPCKUODOU-PXLXIMEGSA-N 487.585 3.716 10 10 JHCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OC)c(OC)c1)C[C@H](c1ccccc1O)N2 65297890 XBDZVEOHYZDOPW-HXUWFJFHSA-N 453.539 3.882 10 10 JHCE biogenic O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)cc1)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 104865238 YVUMVGFQEZLHSM-NJYVYQBISA-N 459.404 3.660 10 10 JHCE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c(C)n1-c1ccccn1 106074027 WYPHJPYJOLUQEL-UHFFFAOYSA-N 478.618 3.515 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 256038775 RZGWDJMOMCXKDX-GOTSBHOMSA-N 495.085 3.924 10 10 JHCE CC(=O)N1CCN(c2ccc(CNc3ncnc(C(F)(F)F)c3Br)cc2)CC1 1458363952 NSSLIMIMEQHCTN-UHFFFAOYSA-N 458.282 3.539 10 10 JHCE Ic1ccc(/N=N/N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 1860484288 GLDXIFLFPNFTPS-QZQOTICOSA-N 450.280 3.836 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Cc4ccccc4)CC3)cccc21 1860588233 MHMMGQNVRFRMRN-UHFFFAOYSA-N 452.510 3.882 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(C)cc1 1860761519 WXLPTDVFKOMTNY-UHFFFAOYSA-N 466.515 3.802 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864011308 GIWKQCGYWNEHQV-JOCHJYFZSA-N 480.540 3.791 10 10 JHCE CCC[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866849522 FVHGAUWDOSAYLW-OAQYLSRUSA-N 470.529 3.601 10 10 JHCE CCc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867958154 PFGCMSRKBSYXAI-UHFFFAOYSA-N 458.610 3.701 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](C)C3CCCC3)CC2)cc1 1868878426 RDOBHMUMVDTYQQ-RXFWQSSRSA-N 479.621 3.603 10 10 JHCE NC(=O)[C@H]1CN(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccs2)c2ccccc2O1 2040437992 BNZAJKQOZGQDNX-OAQYLSRUSA-N 456.527 3.894 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2053511075 CWJWPXKNKVRJES-UHFFFAOYSA-N 496.614 3.553 10 10 JHCE CCOc1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2296885251 LGUIGJPFKVNFOD-UHFFFAOYSA-N 458.561 3.942 10 10 JHCE COc1ccc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)cc1Br 2297319148 QYEQYTVVHHSEEA-UHFFFAOYSA-N 499.102 3.524 10 10 JHCE CCC1=NN2C(=N)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)N=C2S1 103473339 JVPPDGFHTZQCSV-KBQFJHCTSA-N 454.533 3.792 10 10 JHCE Cc1c(N2C(=O)/C(=C/c3ccccc3OCCC(=O)O)SC2=S)c(=O)n(-c2ccccc2)n1C 210442611 ZVJPSXNKBJWFHJ-RGEXLXHISA-N 495.582 3.744 10 10 JHCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 726592499 NFYVCSMFVRBFEN-FQEVSTJZSA-N 494.567 3.996 10 10 JHCE COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 1084096885 QKDLLNZBLNSLKV-CPNJWEJPSA-N 481.505 3.733 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Br)s1 1084574435 YKRSLFJYESKETQ-XFFZJAGNSA-N 456.115 3.940 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4nc(C)[nH]c4c3)c3ccccc3)CC2)cc1 1862105421 RTSIPQDMFMKTQF-SANMLTNESA-N 483.572 3.700 10 10 JHCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013201 SAZAYZXMFPTBBX-OAQYLSRUSA-N 480.540 3.653 10 10 JHCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864020466 ZNYDMGQPSPWIMY-IBGZPJMESA-N 468.941 3.719 10 10 JHCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864021593 QEIDNSITWIRTPF-OAQYLSRUSA-N 486.613 3.530 10 10 JHCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865028670 XSHVDJJWGPCXNK-FQEVSTJZSA-N 466.925 3.562 10 10 JHCE CCc1ccc(/C(C)=C/C(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866685740 OXUWWFBZENWVER-VUNQTZOZSA-N 482.536 3.544 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(OC)cc4C)[nH]3)CC2)cc1 1871688905 VBUFPBJYJTYMQH-UHFFFAOYSA-N 477.613 3.757 10 10 JHCE COCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166152 DXXGERMZCKMINQ-UHFFFAOYSA-N 459.546 3.619 10 10 JHCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314837023 NEXKTMCQAIASHL-OAHLLOKOSA-N 454.573 3.924 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1OC 2314929104 HFLHIKMCUHQZFJ-UHFFFAOYSA-N 489.571 3.863 10 10 JHCE COc1ccc(OC)c(C=C2SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)c1 2321684720 ZMPKPVKHJJZAKZ-UHFFFAOYSA-N 455.605 3.861 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(=O)n(Cc5ccccc5)ccc4nc3C)CC2)cc1 8605782 XXJULXGLCZZDHN-UHFFFAOYSA-N 468.557 3.724 10 10 JHCE COc1ccc(N2CCN(c3cc(SCC(=O)NCCCc4ccccc4)ncn3)CC2)cc1 65133786 XIZJRWCOHNWMRT-UHFFFAOYSA-N 477.634 3.653 10 10 JHCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(F)cc12 205945384 ALLVJGIXZBPOPM-OEAKJJBVSA-N 452.461 3.818 10 10 JHCE CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc12 1860260957 MDOJHXKEPKVJCR-SFHVURJKSA-N 450.535 3.789 10 10 JHCE CC[C@@](C)(NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861971079 IRGHUQBOWYHQRP-GDLZYMKVSA-N 492.664 3.541 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@H]2c1ccc(O)c(O)c1 1864010809 WZMWHWRDCQHJSR-QHCPKHFHSA-N 487.560 3.548 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864010946 CJYCRUGFLIKJJJ-FQEVSTJZSA-N 468.941 3.525 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(C)c1 1865560067 LSJYSQCUPZMDSM-XMMPIXPASA-N 487.604 3.572 10 10 JHCE COc1cccc2c1C(=O)N([C@H](C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C(C)C)C2=O 1865835613 LIAFPIUBNUHUPU-QHCPKHFHSA-N 482.492 3.730 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868691691 OLFJROUZBYAWHZ-OFVILXPXSA-N 451.611 3.987 10 10 JHCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2053466950 FFPCJDRNXYJOPQ-UHFFFAOYSA-N 466.588 3.988 10 10 JHCE COc1ccccc1NC(=O)CCN1C(=O)C(=Cc2ccc(OC)c(OC)c2)SC1=S 2296881375 DPIWKIBHDQAAPA-UHFFFAOYSA-N 458.561 3.942 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=N)N21 2297345623 MYADEHHPYAQHLK-UHFFFAOYSA-N 469.592 3.722 10 10 JHCE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 2297352862 JQIIYEJJZQEDSF-UHFFFAOYSA-N 491.573 3.825 10 10 JHCE NC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4Br)o3)S2)CC1 2297576247 JCTJGXVLJDSKKE-UHFFFAOYSA-N 460.353 3.877 10 10 JHCE Cc1ccc(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F)c(O)c1Br 2380750803 XURKPMNHJPSKTD-MRXNPFEDSA-N 455.271 3.925 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(NCCCn3ccnc3)nc12 33557325 IDHLQOMGJNZSRV-XMHGGMMESA-N 496.662 3.949 10 10 JHCE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(CCc2ccccn2)CC1 38645411 XGNDLNOGHDVQHJ-JZJYNLBNSA-N 486.688 3.511 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1O 210694101 MNYNNJVOUZJUGR-GZTJUZNOSA-N 462.524 3.779 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 256039373 YMWFVHNNUBAPFA-LOSJGSFVSA-N 474.667 3.579 10 10 JHCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)c(C)c1 727244595 CSSPPFDGDPQWLC-UHFFFAOYSA-N 463.512 3.803 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864009661 JPVWBCSNWSCUSK-HXUWFJFHSA-N 486.931 3.664 10 10 JHCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864013262 ULVCGZCUIAZFHZ-JOCHJYFZSA-N 476.577 3.743 10 10 JHCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865035155 MLQCIRPKLZJSTP-OAQYLSRUSA-N 477.565 3.584 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccc(Cl)cc4)n(C)n3)CC2)cc1 1869969239 KBKZXUBSPNIIGN-UHFFFAOYSA-N 484.988 3.601 10 10 JHCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873167625 PWHILZBHVFFCFM-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2296546060 KHSCZSYIBMPIQP-INIZCTEOSA-N 472.636 3.701 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1[N+](=O)[O-] 2296881583 PQYCJMQKTKIYDO-UHFFFAOYSA-N 457.489 3.554 10 10 JHCE CCSC1=NSC2=NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12 2297345076 OMHZFRKYSBUAII-UHFFFAOYSA-N 472.573 3.784 10 10 JHCE O=C(O)CCNC(=O)CCCN1C(=O)C(=Cc2ccc(-c3ccccc3)cc2)SC1=S 2314831446 LDIJQUYAXBHIGN-UHFFFAOYSA-N 454.573 3.926 10 10 JHCE CCCCN(C)C(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945262 CYDATXPIGBCDQU-UHFFFAOYSA-N 473.620 3.966 10 10 JHCE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CO)c(Br)c1 2364373421 DGMZLGDBPIESSO-UHFFFAOYSA-N 467.987 3.836 10 10 JHCE COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)C2=O)cc1 666849 GQFPATPIYXTFJO-KGENOOAVSA-N 474.469 3.760 10 10 JHCE O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc2c(c1)C(=O)N(CCC1CCOCC1)C2=O 8906949 XEFTWKRSQIAIPP-UHFFFAOYSA-N 456.882 3.703 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 16915785 JIGDQIJTPHGAHZ-LICLKQGHSA-N 475.504 3.685 10 10 JHCE CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)o2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 20407357 DFESKPRSKXVPCJ-QKSFETHESA-N 498.608 3.841 10 10 JHCE COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(N2CCOCC2)cc1OC 20496364 MWKHTCWKTARTTH-UHFFFAOYSA-N 453.451 3.961 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3c(C)nc(S[C@@H](C)c4ccccc4)[nH]c3=O)CC2)cc1 38898905 ZNUWYZWQMANHCE-IBGZPJMESA-N 478.618 3.832 10 10 JHCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526624885 NZSVCKPRDJPORG-VWLOTQADSA-N 491.496 3.888 10 10 JHCE Cc1cc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ccc1C(=O)NC(C)C 731285618 JDBVZJKIPQOMAD-UHFFFAOYSA-N 460.578 3.838 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Cc4ccccc4)CC3)ccc21 1860588324 QFSRFOQQKQVGFT-UHFFFAOYSA-N 452.510 3.882 10 10 JHCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)SC1=S 1860826739 LJDSNPZEOBPRAO-ZCXUNETKSA-N 458.948 3.933 10 10 JHCE CCOc1cccc(C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)c1 1862049481 VZTFUNPNBRFVTN-SANMLTNESA-N 473.573 3.914 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008363 IXWCQWZWOIAFRQ-QHCPKHFHSA-N 476.577 3.960 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865025647 BDKDMUIWKPKAMO-WNSKOXEYSA-N 492.551 3.886 10 10 JHCE CCc1sc(NC(=O)CC[C@@H](N)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866021406 ZPLZHBPRFJTBNN-GFCCVEGCSA-N 469.357 3.657 10 10 JHCE Cc1cc(C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1F 1867167181 TXCQXNYKZMEQJT-MRXNPFEDSA-N 496.498 3.852 10 10 JHCE CC[C@@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868905228 BALYCLPMOGEUFO-XMMPIXPASA-N 492.645 3.995 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1Oc1nc(Cl)ncc1F 2293968613 IFCMBLFGXXLKGP-UHFFFAOYSA-N 469.903 3.746 10 10 JHCE N=C1C(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352709 NVSXHBRQCWARPH-UHFFFAOYSA-N 475.530 3.667 10 10 JHCE Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(N(C)C)o2)C1=O 2313557063 SHUMSJSJDKXQBO-UHFFFAOYSA-N 497.143 3.845 10 10 JHCE COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl 2313558462 BIJUHPAFXOKYAU-UHFFFAOYSA-N 483.304 3.516 10 10 JHCE COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 2313682072 UNXIGHMMWGYRSC-UHFFFAOYSA-N 454.439 3.507 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1 2314836379 DTBZUXJCKOSNRN-CYBMUJFWSA-N 456.545 3.797 10 10 JHCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2314837885 XZGFDFNVVKDPPQ-CYBMUJFWSA-N 458.561 3.941 10 10 JHCE CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@@H](CCSC)C(=O)O)C1=O)C(C)=O 2314928263 SBGSVXVJKBXNNY-GJZGRUSLSA-N 453.607 3.841 10 10 JHCE CCC[C@@H](NC(=O)C=Cc1ccc(OCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330590685 RUUFMFIROKQXGV-RUZDIDTESA-N 465.594 3.741 10 10 JHCE Cc1nn(-c2ccc(Br)cc2)cc1-c1noc(C(=O)NCc2ccc(N(C)C)cc2)n1 20946753 KIJUEYIQSSSTNX-UHFFFAOYSA-N 481.354 3.989 10 10 JHCE O=C1/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 23055275 XOAWWCGRIHJJIG-NBVRZTHBSA-N 480.640 3.649 10 10 JHCE Cc1ccc2c(CC(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)coc2c1C 39883922 LACYYDZJFHIVCU-JOCHJYFZSA-N 454.592 3.874 10 10 JHCE COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C(C(=O)OC)=C1C 101664747 HTSCBNHKYZPFAJ-PXLXIMEGSA-N 482.508 3.552 10 10 JHCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCc3nnc(-c4ccccc4)o3)C2=O)cc1 206725951 NQHRNRUGTYEZCM-XDJHFCHBSA-N 478.599 3.995 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1359356777 RWSDDOIMQYSADK-HSZRJFAPSA-N 452.647 3.991 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(CNC(=O)OC(C)(C)C)c3)c2)CC1 1522406930 PLCMPZYMYOXDMD-UHFFFAOYSA-N 452.555 3.632 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(CCOc4ccccc4)n4ccccc34)CC2)cc1 1858337741 VKLYYSUBNDFEOR-UHFFFAOYSA-N 456.546 3.927 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011896 ZVOPBOYLSVROTM-JOCHJYFZSA-N 474.561 3.989 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865035119 LYOSFBWEEQDWCX-QHCPKHFHSA-N 497.555 3.594 10 10 JHCE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079862781 QGJJLXJOCATWMS-ZDUSSCGKSA-N 470.229 3.958 10 10 JHCE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 2297477480 XPAHMWUMXJUJQF-UHFFFAOYSA-N 484.555 3.822 10 10 JHCE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)c(C)s1 11857651 SPQFTEPHZUGKQQ-UHFFFAOYSA-N 459.549 3.592 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)COc3cc(C)ccc3C)C2=O)c1 62050592 JPGJVAGBROZELO-DEDYPNTBSA-N 456.589 3.708 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@H](CO)Cc1ccccc1 97595310 KBRQQSUIVSMGHJ-AMRJIULGSA-N 461.008 3.651 10 10 JHCE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 711801079 HQQFJKSVHZBYNF-MHZLTWQESA-N 466.626 3.635 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)C1 1359356778 RWSDDOIMQYSADK-QHCPKHFHSA-N 452.647 3.991 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(OCc4csc(C)n4)c3)c2)CC1 1516470512 FSSPOMYIWGGPRJ-UHFFFAOYSA-N 450.564 3.951 10 10 JHCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)c(CCC(=O)O)s2)cc1 1858070585 UWXCUYXASZAXER-UHFFFAOYSA-N 451.551 3.648 10 10 JHCE CC(C)Oc1ccc(S(=O)(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858609283 CJGBVQASSFNRFL-UHFFFAOYSA-N 480.567 3.925 10 10 JHCE Cn1cccc1CNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344769 FEHFZBWVWGTGMI-UHFFFAOYSA-N 451.530 3.619 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864009745 CRHZHRIMZHGQDV-QHCPKHFHSA-N 497.555 3.642 10 10 JHCE CCCC[C@H](NC(=O)c1cc(C2CC2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867147459 IFCNRBAOOHYCNJ-FQEVSTJZSA-N 470.529 3.990 10 10 JHCE COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)C[C@H]1C 1869184408 QDLYHFVQXPJCHV-FGZHOGPDSA-N 496.700 3.655 10 10 JHCE COc1ccc(Nc2nc(=NCc3ccco3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561664 QPPDKRLSCPIFKT-UHFFFAOYSA-N 487.564 3.586 10 10 JHCE Cn1nc(CNCc2cc(Br)cc(F)c2O)c(I)c1Cl 2174385042 ZUIGFTTUIIHHBD-UHFFFAOYSA-N 474.499 3.575 10 10 JHCE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccncc1 2296740232 NLUQMCXWEPTESY-UHFFFAOYSA-N 472.551 3.545 10 10 JHCE Cc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O 2297366451 PUSVGAUDDRRYGN-UHFFFAOYSA-N 460.317 3.805 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)C=Cc3ccc(Cl)cc3)cc2)cc1 2330906132 FZRKQNYLXXVUBW-UHFFFAOYSA-N 499.976 3.772 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 15038065 CTMVBIGLLZCCMC-YBEGLDIGSA-N 462.936 3.974 10 10 JHCE Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)c1 20208029 VXRJPSJGHNHTIX-MRDWGVERSA-N 488.978 3.849 10 10 JHCE COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C\C(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 96585335 LEOQSOIJJGOCKK-SSVKHQHASA-N 480.524 3.841 10 10 JHCE O=C(O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl 1084105307 NRVZONPCYMCNHZ-POHAHGRESA-N 469.664 3.777 10 10 JHCE Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O 1084448505 ASEOSIHPPPEZEP-STZFKDTASA-N 462.937 3.906 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccc4C)c4ccccn34)CC2)cc1 1858224037 MNMHOPKDGMIDGZ-UHFFFAOYSA-N 483.572 3.544 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(O)c4c(ccc5ccccc54)n3)CC2)cc1 1858511052 VLDMJUZWMOOAFK-UHFFFAOYSA-N 460.559 3.938 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1861925804 PDPFFGGOOHYNNK-OAQYLSRUSA-N 462.377 3.955 10 10 JHCE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(CN)c2I)c(O)c1 2079872578 BZBNZRKOPHLNMZ-OAHLLOKOSA-N 463.266 3.988 10 10 JHCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1 2293100686 QWDVWMXPMDTBOG-UHFFFAOYSA-N 462.483 3.605 10 10 JHCE COc1cccc(NC(=O)CCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)c1 2295914167 DDCRMSBLLQWZOP-UHFFFAOYSA-N 488.587 3.951 10 10 JHCE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]32)cc1 248261372 WGQWYJITAQSODV-YRKFHGTDSA-N 455.599 3.590 10 10 JHCE CCN(CC)CCOC(=O)c1ccc(NC(=O)CNCc2ccc(N(CC)CC)cc2)cc1 1860716864 HWFCJSIQTJQUNM-UHFFFAOYSA-N 454.615 3.760 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864020739 GHZYMJNNHUWGSJ-HXUWFJFHSA-N 454.571 3.800 10 10 JHCE CC(C)[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1865901397 BJBDCHFHTXGEPV-DQEYMECFSA-N 476.621 3.717 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4)c(Cl)c3)C(=O)N=C2S1 2297346333 WSDGKSKSLVMCKS-UHFFFAOYSA-N 474.951 3.540 10 10 JHCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 2314931082 BVNDJIQRRYBLIF-UHFFFAOYSA-N 462.936 3.740 10 10 JHCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)c(C)s2)cc1 1859573662 WCDMLMAOQHCFPM-LLVKDONJSA-N 456.549 3.933 10 10 JHCE Cc1nc2c3ccc(Br)cc3nn2c(C)c1CCC(=O)NCCc1ccc(O)c(O)c1 1860339116 GWCYDZQBLFVTMK-UHFFFAOYSA-N 483.366 3.965 10 10 JHCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864011249 SGSQYMXSXWEOSQ-FQEVSTJZSA-N 480.952 3.863 10 10 JHCE Cc1cc(Br)c(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c(C(=O)O)c1 1865877843 RGBLBSGTADONAP-UHFFFAOYSA-N 459.296 3.960 10 10 JHCE Cc1c(Cl)cccc1-n1nc(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c(=O)cc1C 1866286005 UXXUFEWCDDXTKF-HSZRJFAPSA-N 490.995 3.822 10 10 JHCE CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867358782 JOHDYMOGUICMPM-IGKIAQTJSA-N 495.624 3.903 10 10 JHCE COc1ccc([C@H](C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)C(C)C)cc1 1868847615 IGXRCRRZVQQFMZ-CLJLJLNGSA-N 481.637 3.933 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868943733 QPEZFAQNGQNJFZ-CJFMBICVSA-N 499.677 3.784 10 10 JHCE CCCCCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870517736 UIVYQXKBMCMLNE-UHFFFAOYSA-N 498.668 3.664 10 10 JHCE COc1ccccc1[C@@H]1[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC(=O)N1C 1874179389 BGMFSDFDJMCIKE-NTKDMRAZSA-N 454.482 3.629 10 10 JHCE COc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C(N)=O)c2I)c(O)c1 2080001270 GHSZFDAUPBQESN-KRWDZBQOSA-N 467.307 3.568 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(Cc4ccccc4Cl)c3C)C2=O)cc1 2313548103 LSGLEKFFASVNGO-UHFFFAOYSA-N 464.909 3.877 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313564862 CBQAKPVTJMGAPV-UHFFFAOYSA-N 472.453 3.639 10 10 JHCE CN1C(=O)C(=Cc2cn(Cc3ccccc3F)c3ccc(Br)cc23)C(=O)NC1=S 2313656672 VKXIRPBKGDOZNH-UHFFFAOYSA-N 472.339 3.848 10 10 JHCE COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2N2CCOCC2)cc1Br 20496440 HROPPHJLMSFDPW-UHFFFAOYSA-N 451.317 3.564 10 10 JHCE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1 62694730 RWDPNCSYYSKQJM-UHFFFAOYSA-N 469.582 3.731 10 10 JHCE COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 103989398 YRHFRYOGGFXTKK-KGENOOAVSA-N 492.561 3.621 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 1084381231 GLBVVNJVLRJJIH-QPEQYQDCSA-N 450.632 3.677 10 10 JHCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1705730242 FMMWDJJFKMXGNJ-NRFANRHFSA-N 462.598 3.612 10 10 JHCE CCN(CC)c1ccc(/C=c2\sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)cc1 1860793309 HQSVGLDTVDHBEH-XLNRJJMWSA-N 464.591 3.565 10 10 JHCE COCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870904790 UOCJUTHBFVWUMM-UHFFFAOYSA-N 495.576 3.809 10 10 JHCE CCCCN(C)C(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872825185 QGHKKWQUJOUGIM-UHFFFAOYSA-N 495.649 3.885 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1C(=O)O 2297333038 SNOBFEFWJDTWBN-UHFFFAOYSA-N 468.771 3.732 10 10 JHCE Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 2297345341 OIMSMEZMJULONL-UHFFFAOYSA-N 475.983 3.677 10 10 JHCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(CCCC(=O)O)C3=O)o2)cc1 2314433579 PDIVGVMGIGIREW-UHFFFAOYSA-N 452.535 3.891 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2314831590 NYFNMFSHTKAEGS-UHFFFAOYSA-N 464.609 3.915 10 10 JHCE O=C1c2ccc3c4c(ccc(c24)C(=O)N1N/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O)CC3 9972952 DYGMGNQZWPQYBI-WOJGMQOQSA-N 486.871 3.700 10 10 JHCE CCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 40066445 BQLWGIBOBADZMM-UNOMPAQXSA-N 496.614 3.726 10 10 JHCE Cc1cc(/C=C\C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCO2 96129748 JOQMNHBLESIBCH-FLIBITNWSA-N 486.572 3.619 10 10 JHCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NC[C@@H]4CCCO4)[C@@H]3C2)cc1 96457185 NHKQAOAIELCKGW-FIXSFTCYSA-N 489.538 3.877 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 210753688 HMGJHJMOYLZLCD-OBGWFSINSA-N 464.609 3.915 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 1084111616 QOWULZLQASBEJF-UYRXBGFRSA-N 477.517 3.851 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)cc(C(=O)OC(C)(C)C)c3)cc2)CC1 1466883086 WZNJCVQVYIWMNG-UHFFFAOYSA-N 451.567 3.549 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)c5ccc(Cl)cc5n4)CC3)CC2)cc1 1858550063 RGFDDRWXEAENCA-UHFFFAOYSA-N 481.984 3.563 10 10 JHCE COc1cc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc(Br)c1O 1858592056 HIGYQKPGHFHKKT-ZTFCMROMSA-N 460.371 3.864 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858611248 OEOGQSUBHDWSQR-UHFFFAOYSA-N 480.567 3.763 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 1860761515 WRYHHHGLIWAQLI-INIZCTEOSA-N 460.552 3.681 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008891 UPGPPZKMIXDPQC-VWLOTQADSA-N 496.567 3.970 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027566 JNXGKIXRKYOSIB-NPMXOYFQSA-N 490.560 3.554 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4CO)nc(-c4ccccc4C)n3)CC2)cc1 1867960966 DDZPPQQQRKVEMH-JOCHJYFZSA-N 459.594 3.748 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCc5cc(OC)c(OC)cc5C4)nc(C)n3)CC2)cc1 1867990630 RCSIMVYTHZDROE-UHFFFAOYSA-N 475.593 3.700 10 10 JHCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871489833 NOGGAIBUBNGVCX-UHFFFAOYSA-N 468.005 3.578 10 10 JHCE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNCc2cc(Cl)cc(Br)c2O)C1 2237802348 XWIDYBOTHFIENG-YJYMSZOUSA-N 461.784 3.924 10 10 JHCE COc1cc(C=C2C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(Br)cc1O 2293794963 TYYSELYEKIZEQM-UHFFFAOYSA-N 461.337 3.611 10 10 JHCE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1cccc(C(=O)O)c1 2296881481 JTJWJGKEHYEFOA-UHFFFAOYSA-N 477.361 3.987 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1ccccc1 2297345679 RNYZICDJJZPRDD-UHFFFAOYSA-N 469.592 3.742 10 10 JHCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)c2C)cc1 2297346476 LSUFLJVFFAFBKO-UHFFFAOYSA-N 485.591 3.504 10 10 JHCE O=C1C[C@H](c2ccc(Br)cc2)N=C(NC(=O)c2ccc(Br)cc2)N1 20530798 RBCJHGWNNPOZSM-CQSZACIVSA-N 451.118 3.559 10 10 JHCE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N(C)Cc2ccccc2)SC1=S 33454487 LHJNEWLRIXYEKH-XDHOZWIPSA-N 450.589 3.589 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33511137 JYDBHISTRXYTAM-QGOAFFKASA-N 472.636 3.985 10 10 JHCE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 40066718 ROEDIDKZOAVDKW-QNGOZBTKSA-N 496.658 3.941 10 10 JHCE Cc1ccc(OCCCN(c2cccc3c2C(=O)c2ccccc2C3=O)S(=O)(=O)N(C)C)cc1 586234393 RYXXOSFEUVIFPP-UHFFFAOYSA-N 478.570 3.852 10 10 JHCE CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc(OCc4ccccc4)cc3)cs2)cn1C 727252294 CPTLWMQZUWJVGH-UHFFFAOYSA-N 482.587 3.888 10 10 JHCE COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)o1 1084410234 ALROVISERJVVSV-BOPFTXTBSA-N 451.366 3.669 10 10 JHCE CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 1286879112 DRUVQTBLGOQGOO-IBGZPJMESA-N 470.687 3.525 10 10 JHCE COc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862058333 LPJCETXGZARGJP-SANMLTNESA-N 491.563 3.533 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3CCc5ccccc5C3)n4C)CC2)cc1 1873544132 RINNFPCUMBOWDF-UHFFFAOYSA-N 482.588 3.502 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4C)cc3)C(=O)N=C2S1 2297346324 VULLONYFCKJWJX-UHFFFAOYSA-N 468.560 3.585 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 20207530 HUIMUQOLIDNQIC-SKCBRKFKSA-N 498.586 3.847 10 10 JHCE CCCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33459344 LJTLJBBZVHQVRT-ZCQLHAAUSA-N 458.609 3.595 10 10 JHCE CCCCN1C(=O)/C(=C\Nc2cc([N+](=O)[O-])ccc2OC)C(=O)N(CCc2ccccc2)C1=O 100176370 BYXIGOYZLRCCKY-KNTRCKAVSA-N 466.494 3.733 10 10 JHCE O=C(NN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=S)c1ccc(F)cc1 205713926 XTJIYMLZWMRODP-RIYZIHGNSA-N 453.314 3.840 10 10 JHCE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C(=O)NC)CC1 1705682349 XMIFBSWJYLLZPR-UHFFFAOYSA-N 498.429 3.723 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CC(=O)N2C 1859572764 GOJBWEJBCMNDLP-UHFFFAOYSA-N 478.939 4.000 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCC(C)C)[C@H]2c1ccc(O)c(O)c1 1864023176 VBCGYOIQRCNLRB-HNNXBMFYSA-N 468.476 3.580 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccco4)n(-c4cccc(Cl)c4)[nH]3)CC2)cc1 1869970020 COCJPLBUSZBLGK-UHFFFAOYSA-N 478.940 3.523 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873168825 KSQGFDIUBLFCGB-UHFFFAOYSA-N 495.583 3.808 10 10 JHCE COc1ccc([C@@H](C(C)C)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079857919 HZNVTQBZGLIDBZ-CYBMUJFWSA-N 469.245 3.925 10 10 JHCE C[C@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 2314836638 HVIKZMXDRCFYQQ-MRVPVSSYSA-N 470.395 3.840 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCC(=O)Nc3nnc(CC(C)C)s3)C2=O)c1 33932703 RZZGHCGOGZTYOL-RVDMUPIBSA-N 462.622 3.975 10 10 JHCE CC[C@H](C)N1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 34890916 YIWBXRFAAPBTJM-HZGBGQKMSA-N 482.635 3.701 10 10 JHCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cc(C(=O)O)ccc2C(=O)O)C1=O 210494525 YDYAWZHNZBPSNH-LROCIMMESA-N 482.539 3.869 10 10 JHCE CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)o2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 263631922 DFESKPRSKXVPCJ-VWLOTQADSA-N 498.608 3.841 10 10 JHCE CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(C)n(-c4ccc(Br)cn4)c3C)CCC[C@H]2C1 1629127634 ICYMVXLPNIBCJZ-DBVUQKKJSA-N 459.388 3.628 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3NC(=O)OC(C)(C)C)cc2)CC1 1634074975 XGJDLCSJZPHZGO-UHFFFAOYSA-N 452.555 3.632 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1 1862071027 RKFZFVXUALYPIN-MUUNZHRXSA-N 496.611 3.795 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@@H]2c1ccc(O)c(O)c1 1864016429 OZTMYLVKRHESLG-HXUWFJFHSA-N 472.501 3.585 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027246 WVDHVGNVDZUYBU-HSZRJFAPSA-N 492.551 3.743 10 10 JHCE CC(=O)c1ccc2c(c1)oc(=O)n2[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1865767534 BIQUBUYUMKCVEG-CYBMUJFWSA-N 454.438 3.772 10 10 JHCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2[C@H](C)COC[C@H]2C)n1 1868254724 ZCVJOBBYVNOSCK-IAGOWNOFSA-N 472.545 3.798 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)cc4)n(-c4ccccc4)[nH]3)CC2)cc1 1869969653 HLPZKBUJPGXXGC-UHFFFAOYSA-N 488.979 3.930 10 10 JHCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873169886 HGDWSLZFUHIQKU-UHFFFAOYSA-N 453.583 3.617 10 10 JHCE CN(CCOCCN(C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 2163162939 OAGUPXLRJWVZMV-UHFFFAOYSA-N 478.634 3.882 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2293239071 PZZOQUVGDLTMDU-UHFFFAOYSA-N 474.516 3.858 10 10 JHCE O=C(C=Cc1ccc2c(c1)OCO2)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2294953897 QMVUKGRKSSZSAA-UHFFFAOYSA-N 456.479 3.717 10 10 JHCE Cc1cc(=NC(=O)CCCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)[nH]o1 2296754929 UCUXRMJGDLBKNH-UHFFFAOYSA-N 466.382 3.788 10 10 JHCE Cc1c(NC(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2297476651 MGEXBBAMAXCEHM-UHFFFAOYSA-N 478.599 3.714 10 10 JHCE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2314541772 PXRPTPRQXLNICN-LLVKDONJSA-N 471.343 3.783 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)ccc1OCC(=O)O 16915732 BSBMBWKHPIZWOD-VXLYETTFSA-N 475.544 3.972 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(C)cc1)C(=O)c1ccccc1F 35960324 JDBRFBSYMCRORP-RUZDIDTESA-N 476.552 3.939 10 10 JHCE COc1ccc(-c2nonc2NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 207314379 ZYEJIFRQUPGKEH-OQLLNIDSSA-N 472.573 3.955 10 10 JHCE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566356959 SJWMZPUNBFSSFU-GMAHTHKFSA-N 455.986 3.662 10 10 JHCE COc1ccc(N2CCC(O)(CN3[C@H](c4ccccc4)C[C@]4(C)[C@H](O)[C@@H](O)CCC[C@@H]34)CC2)cc1 1615191787 PIGZADFSUOIIFZ-NIDMROIKSA-N 480.649 3.754 10 10 JHCE CN(C)S(=O)(=O)c1ccc(C(=O)N(CCc2c[nH]c3ccccc23)c2ccc(N)cc2)cc1 1857991671 HRZHMHDWQBMQKD-UHFFFAOYSA-N 462.575 3.890 10 10 JHCE Cc1ccc(-c2cc(C(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn2C)cc1C 1868139281 UWMJKVFFNTVERB-UHFFFAOYSA-N 492.535 3.848 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@H](c3ccccc3)C2)n1 1869132582 GLZONSIMMMLXSA-VWLOTQADSA-N 472.637 3.867 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2c(F)cc(CN)cc2F)CC1 2227921552 PJUPHOHKMXJFCR-UHFFFAOYSA-N 470.561 3.718 10 10 JHCE CCCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 2296697757 IWYDYUGIPOKUHF-UHFFFAOYSA-N 482.635 3.703 10 10 JHCE Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 2297352584 CVEASTNJYNSRHH-UHFFFAOYSA-N 482.997 3.965 10 10 JHCE CC(=O)N[C@@H](CC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 770287171 UTHUENWDOCAWQJ-GYCJOSAFSA-N 484.508 3.600 10 10 JHCE COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(OC)c1OC 1083860612 DFPUPYNOHZXFAY-RIYZIHGNSA-N 489.322 3.758 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(CC)s2)sc(C)c1-c1ccc(Cl)cc1 1860766364 VVGVCMXOWAWXON-UHFFFAOYSA-N 478.983 3.967 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864010357 LGAFZZCOCZRGSS-QFIPXVFZSA-N 456.502 3.576 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865034119 PNNCLFRWWNQVFC-MRXNPFEDSA-N 480.487 3.676 10 10 JHCE CC[C@@](C)(NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868939044 AAGOQKWZNQRPCL-NFQMXDRXSA-N 467.610 3.831 10 10 JHCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871489695 HBTZZLBCGOKXMT-UHFFFAOYSA-N 482.032 3.968 10 10 JHCE CC(C)(C)OC(=O)N1CCN(CCCC(=O)Nc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 2163038026 XJARDFRMLMYEQT-UHFFFAOYSA-N 477.606 3.692 10 10 JHCE C[C@@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)C(=Cc2ccccc2Cl)SC1=S 2297500757 DVFNXLPRMLNTJJ-JTQLQIEISA-N 462.936 3.972 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1 2313559083 QOWULZLQASBEJF-UHFFFAOYSA-N 477.517 3.851 10 10 JHCE COc1cc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314931705 HRUYQSYOJDXDDX-LBPRGKRZSA-N 472.544 3.911 10 10 JHCE CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)S1 3667685 ZJMNLCWBOHBZOB-MFOYZWKCSA-N 475.320 3.833 10 10 JHCE Cc1ccc(Cn2cc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c3ccccc32)cc1 20356634 ORPDJNFOWBXNEY-DVELLGFNSA-N 484.585 3.907 10 10 JHCE Cc1cccc(-c2nnc3ccc(N4CCC(C(=O)NCc5ccc(N(C)C)cc5)CC4)nn23)c1 33260254 USXSHNGVPNGAIU-UHFFFAOYSA-N 469.593 3.699 10 10 JHCE CCc1c(C)nc2ncnn2c1Sc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1 33276026 PDTUNAHTYBRYCN-UHFFFAOYSA-N 483.604 3.952 10 10 JHCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(F)cc4F)ncn3)CC2)cc1 65133716 OHGGIVMROUWFNV-UHFFFAOYSA-N 471.533 3.821 10 10 JHCE Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 96585327 VOZNGXZWDJYXHF-PISNEZEASA-N 471.344 3.839 10 10 JHCE Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(CCc3ccc(F)cc3)C(=O)[C@@H]12 104760240 YHJOOICGVLHRBO-TZRRMPRUSA-N 483.495 3.867 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N3C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1 743362383 BJBRKBZRLLQXMK-IYBDPMFKSA-N 482.469 3.590 10 10 JHCE CC(=O)[C@@H]1CC(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)=NN1c1ccccc1 1126657644 LAHUZVDBPZKGNH-JTSKRJEESA-N 456.493 3.597 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(Cc4ccccc4C)c(O)n3)CC2)cc1 1858517640 LVJDYBXNALNJPR-UHFFFAOYSA-N 478.618 3.839 10 10 JHCE CC[C@@H](C)NC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858843971 ABJWZXCVVFZWQQ-OAHLLOKOSA-N 472.501 3.795 10 10 JHCE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864013486 BWNCGEBWZRTYKN-JOCHJYFZSA-N 480.524 3.924 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cccc4C)cn3CCCO)CC2)cc1 1870489141 FHZWVAGBPFXGDN-UHFFFAOYSA-N 491.632 3.757 10 10 JHCE CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2O1 1874179199 SRWSZAASOHVAHS-UHFFFAOYSA-N 471.465 3.929 10 10 JHCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)ccc(N)c2C1 2153990103 JNXVLQFWGGMECO-DQEYMECFSA-N 464.610 3.652 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 2293039613 SXQHJEJEQMJASD-UHFFFAOYSA-N 472.544 3.632 10 10 JHCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccccc1C 2297347524 DMQHFHBGDOUQPG-UHFFFAOYSA-N 463.490 3.920 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 2313549011 LDHZBZHEJJMGPJ-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE CCCCOC(=O)CN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2314741390 YMPRMEQCQQVELJ-UHFFFAOYSA-N 460.371 3.708 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 15044837 SLDNNODRPYSDSA-AQTBWJFISA-N 480.608 3.621 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3ncnc4c3[nH]c3cc(OC)c(OC)cc34)CC2)cc1 33172821 OVEIHKKLWCPNIH-UHFFFAOYSA-N 493.589 3.578 10 10 JHCE CCCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1 33417285 FSVXECFSLNZEQP-RCFILRSGSA-N 499.530 3.782 10 10 JHCE CCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 33438189 RHWCTZNBDCJFQA-UCHUYYQMSA-N 472.636 3.700 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCSCC3)nc12 34387951 OZYPOJCGFGGYJT-SFQUDFHCSA-N 484.628 3.551 10 10 JHCE O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 35516701 OIDXKSRLYGMCMR-XMHGGMMESA-N 464.528 3.861 10 10 JHCE CCOC(=O)c1c(N/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)sc2c1CCCC2 105058362 GMKKXIZPFSTXNE-QBFSEMIESA-N 473.551 3.686 10 10 JHCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)ccc1O 226677193 CDFOYIICWQLMLG-DOGKRZLPSA-N 456.564 3.685 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NCCc4cccs4)[C@H]3C2)cc1 248153527 XVYKJFNRYFBWMX-ILBGXUMGSA-N 492.601 3.891 10 10 JHCE C[C@@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 727310638 NLMUXYNFZYGJHG-OAQYLSRUSA-N 464.610 3.664 10 10 JHCE CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1OC 1084315400 TXPXPHKITPIJBF-LFIBNONCSA-N 473.323 3.561 10 10 JHCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCC(=O)N(C)C 1705590736 VDTVLIYFQUBLDD-UHFFFAOYSA-N 456.594 3.684 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccccc3Cl)CC2)cc1 1861912828 XGUSQMYYTMCUSM-RUZDIDTESA-N 493.991 3.744 10 10 JHCE CC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862202526 NHMVXJNENVVMJD-FQEVSTJZSA-N 480.392 3.624 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 2124516542 UIHZFKFQFAQEKJ-OALUTQOASA-N 459.547 3.952 10 10 JHCE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2201000856 AHDKQTOWQLTIHF-QUCCMNQESA-N 473.570 3.897 10 10 JHCE N=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296065497 OPIGFILVUYUDDW-UHFFFAOYSA-N 473.558 3.897 10 10 JHCE CCCC1=NN2C(=N)C(=Cc3ccccc3OS(=O)(=O)c3ccccc3)C(=O)N=C2S1 2297307269 HTKILKGCBWBRLI-UHFFFAOYSA-N 454.533 3.874 10 10 JHCE CCCC[C@@H](NC(=O)C=Cc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328477947 UJMXCJRFOHOGBT-XMMPIXPASA-N 495.620 3.749 10 10 JHCE CC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2cccc3nonc23)c1 4099926 QPRFFUDYJGNULF-UHFFFAOYSA-N 464.503 3.568 10 10 JHCE O=C(O)/C=C/C(=O)N(Cc1ccccc1O)c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 15412168 KKRGKFYVWCVIDE-BUHFOSPRSA-N 456.458 3.695 10 10 JHCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc21 206206683 CYDBBYCLPBLUPK-VHEBQXMUSA-N 466.588 3.925 10 10 JHCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1479532210 BJVIFCGRDCBJRA-LOSJGSFVSA-N 457.663 3.568 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(Nc3ncc(Br)c(=NCCc4cnc[nH]4)[nH]3)ccc21 1860399244 OBRJDYUAENJELF-UHFFFAOYSA-N 489.333 3.558 10 10 JHCE COc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 1860588544 ORHLOTKVMOGGKD-UHFFFAOYSA-N 468.509 3.962 10 10 JHCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864008809 SLVWUDAIYYWPEC-MJWALFBCSA-N 478.593 3.555 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018092 CICHJLRVGHHQGQ-NRFANRHFSA-N 480.540 3.511 10 10 JHCE CC[C@](C)(NC(=O)c1n[nH]c2c1CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866853954 XKURRVIYCQEOBB-MHZLTWQESA-N 470.529 3.601 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869188354 ZEDQAAZTEYDVIL-UHFFFAOYSA-N 490.656 3.851 10 10 JHCE CCOC(=O)CCCOc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870798054 ZIANPJKCSSMWHM-UHFFFAOYSA-N 465.550 3.918 10 10 JHCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871653518 GRQFQOBHZNBOJG-UHFFFAOYSA-N 485.995 3.799 10 10 JHCE CCCCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1873557204 LXAGMZUQBNTYIU-UHFFFAOYSA-N 494.640 3.675 10 10 JHCE COc1ccc([C@H]2[C@@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)OCC(=O)N2C(C)C)cc1 1890866313 JSLZUXDIWOHEDF-CJPRTRIKSA-N 477.605 3.677 10 10 JHCE Cc1cc(C=CC(=O)N(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)c(C)n1-c1ccccc1 2040473713 FNEKZEJGKDICHZ-UHFFFAOYSA-N 469.545 3.663 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C2CCCCC2)C1=O 2053494217 PQJYEIHNQSIQHL-UHFFFAOYSA-N 458.609 3.677 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)CC1 2227912158 JLPRCOXWPDFWLL-UHFFFAOYSA-N 463.579 3.591 10 10 JHCE COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)C(=Cc4ccc(F)cc4)SC3=S)c2c1 2296885326 PETCHFSFWLSHAF-UHFFFAOYSA-N 469.563 3.876 10 10 JHCE O=C1NC(=S)SC1=Cc1ccc(OC(=O)c2ccccc2I)cc1 2297200025 HEAKSUIDJIKJMJ-UHFFFAOYSA-N 467.309 3.999 10 10 JHCE O=C(O)CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 2314932380 VGZPLPPDLOQPCZ-UHFFFAOYSA-N 462.936 3.740 10 10 JHCE O=C(CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(C(=O)O)cc1 47152230 ROPUQHPKIZMNPY-ATVHPVEESA-N 471.516 3.913 10 10 JHCE CCOC(=O)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1 65096271 ZBDCTAKKBRFILQ-UHFFFAOYSA-N 460.939 3.906 10 10 JHCE CCCCn1c(=C2C(=O)N(c3ccccc3)N=C2C)sc(=C2Sc3ccccc3N2C)c1=O 254713440 MGXSFBBLYMCXCQ-UHFFFAOYSA-N 476.627 3.591 10 10 JHCE CCCCS(=O)(=O)N(Cc1ccc(C(=O)O)o1)c1cccc2c1C(=O)c1ccccc1C2=O 586189228 COHNRZSMZKUJSG-UHFFFAOYSA-N 467.499 3.890 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4c5ccccc5C[C@@H]4C)n4ccccc34)CC2)cc1 1858243189 KOELABDIPJUKGR-FQEVSTJZSA-N 495.583 3.897 10 10 JHCE CC(C)OC(=O)c1cccc(NC(=O)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1858763671 NRKOBDDZHNQJPC-UHFFFAOYSA-N 485.496 3.780 10 10 JHCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864018008 ANQFEKXAGQHBDT-IBGZPJMESA-N 468.941 3.541 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccncc5)C4)nc(C(C)C)n3)CC2)cc1 1869095114 FELLLMMIYOOHKK-XMMPIXPASA-N 474.609 3.908 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3C[C@@H]3CCCO3)CC2)cc1 1870611524 OMVDLBKOWLMJMP-VWLOTQADSA-N 467.610 3.703 10 10 JHCE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421380 UTNVJJUMOFBXBO-UHFFFAOYSA-N 485.588 3.806 10 10 JHCE O=C1NC(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1 2294095325 PTRRLHMVFLRPIY-UHFFFAOYSA-N 460.417 3.769 10 10 JHCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1ccccc1[N+](=O)[O-] 2313510705 HGDIUWIZWDMIBT-UHFFFAOYSA-N 452.463 3.527 10 10 JHCE CN(C)c1ccc(C=C(NC(=O)C(C)(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2314566038 YFGWDIFQYSKRNR-UHFFFAOYSA-N 455.471 3.711 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 2314627659 QGRUSHLHTRXJTH-UHFFFAOYSA-N 498.649 3.589 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(COc4ccc(Cl)cc4C)n[nH]3)CC2)cc1 9635461 WNDSVXXOQDDTEI-UHFFFAOYSA-N 488.013 3.795 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCc5ccccc54)c3)CC2)cc1 9715918 HLPPXPHQUDFLLG-UHFFFAOYSA-N 491.613 3.799 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cccc(C(=O)O)c1 16922535 AGNGMPXJRNEATQ-DHDCSXOGSA-N 464.471 3.826 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4C)cc3)C(=O)N=C2S1 20208372 VULLONYFCKJWJX-VKGGKSIRSA-N 468.560 3.585 10 10 JHCE O=C1[C@@H]2[C@H](c3ccccc3O)N[C@@](CC3CCCCC3)(C(=O)O)[C@@H]2C(=O)N1C1CCCCC1 247361204 DXUHNDDMJHELLB-OYSWMMLKSA-N 454.567 3.764 10 10 JHCE Nc1ccc(CS(=O)(=O)Nc2cc(I)ccc2Br)cc1 312745330 KBKVPFUBQSNTCC-UHFFFAOYSA-N 467.126 3.578 10 10 JHCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526624882 NZSVCKPRDJPORG-RUZDIDTESA-N 491.496 3.888 10 10 JHCE CC(C)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586231844 GOCKHIULJPZDFW-UHFFFAOYSA-N 450.472 3.974 10 10 JHCE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566356958 SJWMZPUNBFSSFU-GGAORHGYSA-N 455.986 3.662 10 10 JHCE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCSc2nccs2)c1 1705505811 TZQUSVZRNSLGML-UHFFFAOYSA-N 477.619 3.968 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1 1858592833 YQPABPFLIIVJNR-BOFQVRIASA-N 464.609 3.634 10 10 JHCE CCN1C(=O)Cc2cc(-c3nc(NS(=O)(=O)c4ccc(OC)c(OC)c4)sc3C)ccc21 1859573322 MPGZBTFVGCSBHU-UHFFFAOYSA-N 473.576 3.846 10 10 JHCE COc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861936326 FQMMXWSDRZNOTG-HWGVJAQFSA-N 499.611 3.793 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865030580 MMJBDEMTMHJGCJ-JOCHJYFZSA-N 491.592 3.974 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033543 BXLUMXCEMYLRMM-XHBSWPGZSA-N 480.487 3.532 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2cccc3c(Br)n[nH]c23)c2nccn2C)cc1 1866211551 LZYNCQGUGRAUOY-QGZVFWFLSA-N 453.344 3.644 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(F)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970804 QLJXFMHNRHHMAD-UHFFFAOYSA-N 466.561 3.689 10 10 JHCE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2040498556 MNFNWOKNFOGWFD-QGZVFWFLSA-N 498.605 3.726 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c(C)c1 2313558414 ZYQVHGYXNUDLHO-UHFFFAOYSA-N 475.476 3.995 10 10 JHCE Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NCc1ccc(N(C)C)cc1)C(=O)CS2 8605923 FMRKIZHCZVYCPR-UHFFFAOYSA-N 463.607 3.782 10 10 JHCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@@H]2C=CC[C@H]21 20748563 QVKDORBORNEXDE-UMEGOILYSA-N 453.608 3.848 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 103542601 WWIAMJLCDVVSRD-GZTJUZNOSA-N 453.248 3.869 10 10 JHCE CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccco2)SC1=S 208271996 ITLUOTZAJREURY-XDHOZWIPSA-N 486.619 3.881 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3c(F)cccc3Cl)cc2)cc1 1859005948 WKPCVPKNSJXBNY-UHFFFAOYSA-N 491.928 3.511 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 1862201082 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CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 2297560792 VSKMLZLEVTZXHR-UHFFFAOYSA-N 497.642 3.644 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ccc(-c5ccccc5OC)nn4)C3)CC2)cc1 22484381 UYJBLWBZPFSWKL-NRFANRHFSA-N 487.604 3.726 10 10 JHCE CCCOC(=O)CN1C(=O)/C(=C\c2cc(Br)c(OC)c(OC)c2)SC1=S 33378442 SARNIUVOFIXKQO-MDWZMJQESA-N 460.371 3.621 10 10 JHCE CCN1CCN(c2nc3ccc(C)cn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1 33783506 GSYHEAUQNYXBOE-HMMYKYKNSA-N 497.690 3.679 10 10 JHCE COc1ccc(N2CCN(C(=O)CN3CC=C(c4cnn(-c5ccc(C)c(C)c5)c4)CC3)CC2)cc1 35403573 ZPMYSMVEBOISON-UHFFFAOYSA-N 485.632 3.936 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(OC)cc1)C(=O)CC(C)(C)C 35963633 QSWZWUGDHWLMEY-HSZRJFAPSA-N 468.598 3.623 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)c3ccco3)CC2)cc1 38619670 JDDZRHMNFZSWSE-JOCHJYFZSA-N 482.968 3.560 10 10 JHCE Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106264717 YQBSQJJWFKCTPC-UHFFFAOYSA-N 470.982 3.550 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)NS(=O)(=O)c1ccc(Br)cc1 1858606376 RUSUIIRRISCWLG-UHFFFAOYSA-N 485.315 3.735 10 10 JHCE C[C@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866715924 PSBUYSWWVLZEFX-QRQCRPRQSA-N 490.943 3.725 10 10 JHCE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871668922 JUJDFRKDHFTNPH-UHFFFAOYSA-N 491.640 3.795 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)OC(C)C)[nH]c4c3)CC2)cc1 1872825203 RCQQDONXPGJNRR-UHFFFAOYSA-N 468.579 3.578 10 10 JHCE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 2201008602 VQKWWIXYGMRKQG-AZUAARDMSA-N 473.570 3.897 10 10 JHCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)cc3C)c3ccccc32)SC1=S 2296712231 LWCRUCXOBCACNM-UHFFFAOYSA-N 481.599 3.507 10 10 JHCE CCOc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 2297348186 QLWIDXHYBSJFTK-UHFFFAOYSA-N 461.430 3.916 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1OCC(=O)O 2314934423 ZQKMHXMFQSGZOM-UHFFFAOYSA-N 459.545 3.698 10 10 JHCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(C)ccc4OC)n3)cc21 11857653 VWHIFMCCNKWLFQ-UHFFFAOYSA-N 459.549 3.673 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 33572379 HAVBHLXZWUQMDE-ACRNLXFHSA-N 492.626 3.995 10 10 JHCE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 33631783 DJJLQZXWWBPJPP-VVEDBRRQSA-N 483.568 3.577 10 10 JHCE COc1ccc(N2CCN(c3ncnc(Oc4ccc(Br)cc4)c3N)CC2)cc1 40727979 OXDQORPHWWIAPL-UHFFFAOYSA-N 456.344 3.949 10 10 JHCE COc1ccc(N2CCN(C(=O)CNc3ccccc3C(=O)NCc3ccc(C)cc3)CC2)cc1 104804703 LKYXHGWQSIQLMG-UHFFFAOYSA-N 472.589 3.694 10 10 JHCE CC(C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O 1859498909 XYFGHRJTULGRJV-QFIPXVFZSA-N 452.466 3.721 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868612506 HADKTYBRBQXIHC-VWLOTQADSA-N 492.645 3.686 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873168746 IDZHHIMABWBURI-UHFFFAOYSA-N 475.593 3.545 10 10 JHCE CCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873422160 JCUDQRBQRNUPCR-UHFFFAOYSA-N 470.573 3.985 10 10 JHCE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2272656733 CKQPBMDPTBYEHQ-LMKMVOKYSA-N 458.603 3.913 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1 2294095143 LICHYHVGCGPWBN-UHFFFAOYSA-N 456.454 3.939 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C=Cc3ccco3)CC2)cc1 2331414610 SSOCMTJKRIHWDR-VWLOTQADSA-N 477.536 3.517 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(-c5ccccc5OC)nn4)CC3)CC2)cc1 22492990 ZIFIDQVJUAKGIR-UHFFFAOYSA-N 487.604 3.726 10 10 JHCE Cn1cc(-c2ccc3c(c2)OCC[C@H]2CN(Cc4ccc(O)c(O)c4)CC[C@@H]2CC(=O)N3)cn1 1615936255 JTPTXVISHAMZRO-UXHICEINSA-N 462.550 3.748 10 10 JHCE CC(C)Oc1ccc(S(=O)(=O)NC(=S)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858609925 UPTOHEUPSLADSV-UHFFFAOYSA-N 480.567 3.925 10 10 JHCE COc1ccc(CCN2C[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)cc1OC 1859466125 ISPKNYDHRUBKPW-GOSISDBHSA-N 498.535 3.509 10 10 JHCE Cc1nn(C)c(C)c1CNC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860345048 PUZICJABHDDUAZ-UHFFFAOYSA-N 480.572 3.631 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865026860 BTVBXYYBAUKTLC-HSZRJFAPSA-N 490.560 3.554 10 10 JHCE CCN(CCO)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(Cl)cc2)n1 1867980317 KFJYMHBHKKPEQE-UHFFFAOYSA-N 468.001 3.951 10 10 JHCE CC[C@@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868669585 KJSNDXOGNLEYSU-KAYWLYCHSA-N 486.616 3.660 10 10 JHCE CCC[C@@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869062445 HVGVUESCQLBKIL-HSZRJFAPSA-N 475.593 3.641 10 10 JHCE O=C(O)CN1C(=O)C(=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S 2294187451 QRGTXHJJNNLYPZ-UHFFFAOYSA-N 469.519 3.705 10 10 JHCE O=C(O)CCCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2296711393 VXLQFCCUWRYGDS-UHFFFAOYSA-N 498.586 3.746 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCc1ccccc1OC 2313681479 GDNJSCYMFANHAD-UHFFFAOYSA-N 450.520 3.634 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)C(=O)O 2314932735 PFDBQYQVWANPFY-MRXNPFEDSA-N 456.545 3.783 10 10 JHCE O=C(COC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccc([N+](=O)[O-])c1 9491925 UAZOYVXSSIDERS-AYRJVNKUSA-N 497.554 3.924 10 10 JHCE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33774694 MNFNWOKNFOGWFD-WAKXPGHKSA-N 498.605 3.726 10 10 JHCE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 39990242 YINQQAUFGQPTMP-MLLDNRILSA-N 474.652 3.662 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40313895 CVYTTXPYRIXVSD-DHIUTWEWSA-N 481.058 3.615 10 10 JHCE CC1=NN(c2ccccc2C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 101350508 OGJNPHQIUCRGAG-AQTBWJFISA-N 453.549 3.971 10 10 JHCE O=C(O)CCCNC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586692176 GQIKFQPACRLALL-UHFFFAOYSA-N 471.469 3.701 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N3C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C3)CC2)cc1 743362382 BJBRKBZRLLQXMK-HZPDHXFCSA-N 482.469 3.590 10 10 JHCE CCc1ccc(S(=O)(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 1858608010 ZPKPCIJYIMFCNT-UHFFFAOYSA-N 450.541 3.700 10 10 JHCE COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860588596 SYMDZNRFQYWDJV-UHFFFAOYSA-N 468.509 3.962 10 10 JHCE CC1CCN(C(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)CC1 1860826357 DQMIHSYAEAMRLB-DEDYPNTBSA-N 485.631 3.966 10 10 JHCE CC[C@](C)(NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862182064 NUUPNVRIQSHCBA-SANMLTNESA-N 488.028 3.978 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019487 ZYKXCYIYKAGCIU-QFIPXVFZSA-N 492.551 3.798 10 10 JHCE CCOC(=O)c1c(NC(=O)CN2CCN(C)CC2)sc(C)c1-c1ccc(Br)cc1 1865786299 UZBNYSORTWCGOR-UHFFFAOYSA-N 480.428 3.849 10 10 JHCE Cc1ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867329050 SXPKVLUOHSYNRZ-DEOSSOPVSA-N 450.627 3.913 10 10 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CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 39990313 JMVKGDIWOABHOK-CCNLRRDASA-N 474.652 3.665 10 10 JHCE Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)c1 59098824 XJTBZINIILWAFX-BHIFYINESA-N 455.441 3.829 10 10 JHCE COc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1C 62694356 MKJBQTHRHFOMBF-UHFFFAOYSA-N 481.618 3.600 10 10 JHCE O=C(CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 210496945 GJRVZNRHEJBNIP-VIZOYTHASA-N 481.458 3.742 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2cccc(C)c2C)[C@H]2CCS(=O)(=O)C2)cc1 256037583 GDZPOGZOARJUGY-DQEYMECFSA-N 474.667 3.579 10 10 JHCE CC(C)[C@@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(=O)Nc1ccc(O)cc1 606672109 QVJPRUHOPCMDPS-XLXASQRYSA-N 469.588 3.616 10 10 JHCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 1084298987 BHSLKQWFDSZMBO-YVLHZVERSA-N 480.274 3.635 10 10 JHCE CCCC[C@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC)cc2)c1C(=O)OCC)C(=O)O 1860762332 CEJWNNQGLXURTI-KRWDZBQOSA-N 490.578 3.997 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1861954166 VLLSUQIRBOUUBK-FFFSVGICSA-N 487.575 3.924 10 10 JHCE CCCc1ccc(OCC(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862196938 FUDBSYGVKOVFKO-HHHXNRCGSA-N 467.610 3.660 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCOC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864009043 YHOSUZXQCQSIID-QHCPKHFHSA-N 492.576 3.526 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864018875 SXKRJAUGAAJNKN-VPKVUBIPSA-N 489.576 3.630 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2ccccc2I)c2nccn2C)cc1 1865870837 UEKMSFUFZCAIAM-SFHVURJKSA-N 460.319 3.610 10 10 JHCE CCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871721815 FYRJSNOEIZYDFY-UHFFFAOYSA-N 463.586 3.591 10 10 JHCE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCC(C)C)ncnc21 1875221086 BWCMFDDOQXRIIO-UHFFFAOYSA-N 494.640 3.897 10 10 JHCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)c1cc(I)cc(I)c1O 2234171904 PRIYVRYTTOAZIH-ZJUUUORDSA-N 498.062 3.563 10 10 JHCE CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)cc1 2297298466 KTCHYVIBOHSNBC-UHFFFAOYSA-N 459.527 3.851 10 10 JHCE CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)N1CCCc2ccccc21 2297559559 LPFGYKQAISKTTN-UHFFFAOYSA-N 454.573 3.932 10 10 JHCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CCCOc3ccccc3)c3ccccc32)SC1=S 2326944901 DJOOTBRITXDGLY-UHFFFAOYSA-N 468.556 3.548 10 10 JHCE CCCC[C@H](NC(=O)C=Cc1cc(OC)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331195577 LWERGDMUZKBIDN-VWLOTQADSA-N 495.620 3.749 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)Cc3ccc(Cl)cc3)c3ccco3)CC2)cc1 38619311 CNACVBMKYWNDOA-HSZRJFAPSA-N 490.025 3.925 10 10 JHCE Cc1c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 40066668 RVYAMNWNACSZHI-GTNUZRKBSA-N 498.605 3.697 10 10 JHCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@@H](NC(C)=O)CCO4)cs2)cc1 170549498 ZSYGAPYCWOBBJE-IBGZPJMESA-N 486.575 3.529 10 10 JHCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 1084479986 DOTRMELRCXHJLU-UVTDQMKNSA-N 474.454 3.702 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(N=c4nc(O)cc(-c5ccccc5)[nH]4)ccc3O)CC2)cc1 1858176052 MECBFNGPLKRSEU-UHFFFAOYSA-N 497.555 3.691 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(O)cc2)sc(C)c1-c1ccccc1 1860759942 MIVKUJAQEPQXTJ-UHFFFAOYSA-N 452.532 3.903 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cc4ccccc4[nH]3)CC2)cc1 1862070607 MBXUADZXAOSKKJ-HHHXNRCGSA-N 498.583 3.572 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(O)c4cc(C)cc(Br)c4n3)CC2)cc1 1866541270 JEJBDOHZXDUHQF-UHFFFAOYSA-N 456.340 3.982 10 10 JHCE CCCn1c(C(=O)NCc2ccccn2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873575091 PPBCHZPVNPZGDF-UHFFFAOYSA-N 485.592 3.502 10 10 JHCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(O)cc3)ncnc21 1875200591 DQHFWEFOBMEWPT-UHFFFAOYSA-N 486.576 3.740 10 10 JHCE CCCCN1C(=O)C(=CNc2ccsc2C(=O)OC)C(=O)N(CCc2ccccc2)C1=O 2297454710 CHQGXDKECYAFGE-UHFFFAOYSA-N 455.536 3.664 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1 2313541118 UJCBNMNMLVOHIK-UHFFFAOYSA-N 476.510 3.738 10 10 JHCE COc1ccc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c(C(=O)O)c1OC 2314928784 BJEBFMGMLZMHAS-UHFFFAOYSA-N 458.517 3.766 10 10 JHCE CCCC[C@@H](NC(=O)C=Cc1ccc(C(=O)OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331336148 QFGLHZSLSHITHZ-RUZDIDTESA-N 493.604 3.519 10 10 JHCE CN1CCCc2cc(CN3CCC4(CC3)C[C@H]4C(=O)NCCc3nc4ccccc4n3C)ccc21 12246384 AHOQDUMRYMJGHE-QHCPKHFHSA-N 471.649 3.917 10 10 JHCE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccc(O)c(O)c2)cc1 20898604 COYOVTOUGKDVJJ-HSZRJFAPSA-N 496.523 3.630 10 10 JHCE Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 206936209 WYGGQYBOAZXPBM-QNGOZBTKSA-N 495.626 3.933 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N(C)CCCc3cc(-c4cccc(F)c4)n[nH]3)CC2)cc1 742939311 DEQRJFVOHRXIIL-UHFFFAOYSA-N 494.615 3.621 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013327 VZZPVTXFCHWODI-OAQYLSRUSA-N 462.550 3.514 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864019147 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C[C@@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H](CN4CCCCCC4)C3)cc2F)C[C@@H](C)O1 728686953 ZGXMZOJGNGYQCX-CQOQZXRMSA-N 474.665 3.644 10 10 JHCE C[C@H]1CCCN(c2ccc(CNC(=O)NCCS(=O)(=O)c3ccccc3)cc2Cl)C1 799994401 ADMHXWWBXKHESU-KRWDZBQOSA-N 450.004 3.849 10 10 JHCE COc1c(Cl)ccc(Cl)c1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 1858074866 UXARICIHKUJFLM-LJQANCHMSA-N 452.382 3.871 10 10 JHCE CCC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)[C@H](C)O2 1858695243 TUDNAFFOBJHVDL-AWEZNQCLSA-N 462.462 3.975 10 10 JHCE CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862287137 HLJNJRNTLRIZCP-QFIPXVFZSA-N 468.554 3.549 10 10 JHCE CC[C@@](C)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862290884 BXAKHKWZSKYXQQ-HSZRJFAPSA-N 474.945 3.504 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)nc4)n(C(C)(C)C)n3)CC2)cc1 1869970475 KHNKEBALXJYYKW-UHFFFAOYSA-N 469.977 3.669 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3CCCO)CC2)cc1 1870689046 MUNLWXDEOIBSMJ-UHFFFAOYSA-N 491.632 3.573 10 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COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4F)n4ccccc34)CC2)cc1 1858229250 RGKWFPCNQNIZJL-UHFFFAOYSA-N 473.508 3.697 10 10 JHCE COc1cccc(C(=O)N2CCN(Cc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)CC2)c1 1860924001 WXCYRRABLIWWEF-UHFFFAOYSA-N 472.589 3.972 10 10 JHCE CC[C@@](C)(NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866707335 LLLXKHWJHYKQRO-FUFSCUOVSA-N 483.568 3.988 10 10 JHCE CC[C@@H](NC(=O)c1ccccc1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867900736 CPQLURLARXWSIV-JWQCQUIFSA-N 450.627 3.913 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc(F)c(Cl)c4)[nH]3)CC2)cc1 1871655374 ZFSLCJFWOUBHJV-UHFFFAOYSA-N 485.995 3.655 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873164188 PYRXJXXQYLURPX-UHFFFAOYSA-N 460.578 3.899 10 10 JHCE COC(=O)c1ccccc1NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873921535 QJYYOASCCLDMDL-UHFFFAOYSA-N 478.508 4.000 10 10 JHCE O=C(OCC1c2ccccc2-c2ccccc21)N1CC(Cc2ccc(O)c(O)c2O)(C(=O)O)C1 1952063287 AQWKODBHTFCUTQ-UHFFFAOYSA-N 461.470 3.682 10 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O=C(NN1C(=O)/C(=C\c2c(O)ccc3ccccc23)SC1=S)c1ccc([N+](=O)[O-])cc1 206178551 JECWVZYDEYUAJR-WOJGMQOQSA-N 451.485 4.000 10 10 JHCE C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)O 1083920166 YEERQVTTZBTHPA-DOQDJBIESA-N 465.314 3.677 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc1 1858592834 YQPABPFLIIVJNR-YPOUMIDOSA-N 464.609 3.634 10 10 JHCE CC[C@@](C)(NC(=O)CCCOc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862231662 YFDHSHSLBWDPDU-HHHXNRCGSA-N 467.610 3.796 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@@H]2c1ccc(O)c(O)c1 1864015698 DAFHFGBMSKKQOJ-JOCHJYFZSA-N 497.555 3.777 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865031181 AVLICLIMIXTKBR-QFIPXVFZSA-N 496.523 3.619 10 10 JHCE CSCC[C@H](NC(=O)CCc1ccco1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866580071 QXNNGFGQRSKKGE-NRFANRHFSA-N 476.554 3.864 10 10 JHCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 2313682031 TUQFWUSPIZWYJQ-UHFFFAOYSA-N 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488.679 3.768 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=N)N21 96460570 DMJDYIUYGWAAHX-VPOOPXLYSA-N 475.983 3.759 10 10 JHCE CCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccc(C)cn3c2=O)SC1=S 102687984 RBZMWNDNPTVUDU-SFQUDFHCSA-N 460.625 3.841 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)N3CCC(N4c5ccccc5C[C@@H]4C)CC3)CC2)cc1 728740753 GPQZVLCKJSULDS-QHCPKHFHSA-N 491.680 3.833 10 10 JHCE CC(C)[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)Nc1ccc(O)cc1 1081156889 QVJPRUHOPCMDPS-GQEMFKIVSA-N 469.588 3.616 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4ccccc4n3CC(F)(F)F)cc2)CC1 1556199915 ZJDQIBALSNZASM-UHFFFAOYSA-N 458.484 3.802 10 10 JHCE COC(=O)CCCOc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858863745 WPYCOJCYAWHSBA-UHFFFAOYSA-N 459.458 3.833 10 10 JHCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCCC(=O)N4)cs2)cc1 1859573311 LXHDFTDXLSLKLF-UHFFFAOYSA-N 456.549 3.844 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccc(OC)c3)CC2)cc1 1862045778 AHWBQJPCNJCLOG-SANMLTNESA-N 491.563 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10 10 JHCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864016510 QUQPYZWHKKFQRJ-JOCHJYFZSA-N 482.540 3.818 10 10 JHCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864020450 ZIJWPOJPCAYZEM-LHSJRXKWSA-N 462.550 3.528 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027537 JIXZDFGJEPJKCK-QHCPKHFHSA-N 474.561 3.604 10 10 JHCE CC[C@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866897249 ROBZRYMKKCAMTL-NRFANRHFSA-N 480.524 3.576 10 10 JHCE CSCC[C@H](NC(=O)C[C@@H]1CCCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867256053 JUYLHWUERVOLQL-KKSFZXQISA-N 480.586 3.598 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868867544 HFCGZGJTQKMFIO-UZUQRXQVSA-N 455.986 3.696 10 10 JHCE CCCCNC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870954131 BNTQSIQAOKFKGV-FQEVSTJZSA-N 478.593 3.880 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873164109 MNFJKAHSDOXJSZ-QHCPKHFHSA-N 456.546 3.538 10 10 JHCE CC(C)(C)OC(=O)N1CCc2c(N3CC(NC(=O)OCc4ccccc4)C3)ccc(N)c2C1 1977954167 YOGNVHINYVEMMT-UHFFFAOYSA-N 452.555 3.677 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 2040499007 RXVHQZLQHUKZKA-UHFFFAOYSA-N 484.603 3.836 10 10 JHCE COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 2296701641 RNPMQICDTATXBK-UHFFFAOYSA-N 481.599 3.588 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(I)cc1 2313560844 IWZOXPGBVXYBME-UHFFFAOYSA-N 497.086 3.720 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(Oc3ccccc3F)nc12 35395568 YOLFMFKJITYCHN-LFIBNONCSA-N 485.518 3.610 10 10 JHCE COc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)N4CCCC4)c4ccccc34)C(O)=NC2=S)cc1 97499251 OLEVGXPEWWDRJY-STZFKDTASA-N 488.569 3.944 10 10 JHCE CC(=O)N1CCCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)CC1 1596116421 HPGDSHDXAUJYIX-UHFFFAOYSA-N 452.647 3.820 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4C)cs2)c1 1859574355 YPJGFYVMXOJQFN-UHFFFAOYSA-N 459.549 3.537 10 10 JHCE CC(C)SCC(=O)N1CCN(Cc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)CC1 1860859866 VOWGQRBGONZGHN-UHFFFAOYSA-N 454.640 3.791 10 10 JHCE CC[C@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862219309 QRIGMDRPJWCIHB-BVZFJXPGSA-N 474.001 3.750 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865026660 LDRKYPHFKHURQZ-RUZDIDTESA-N 494.551 3.871 10 10 JHCE Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1866032888 AQDLXJNASDBBNT-JOCHJYFZSA-N 455.515 3.834 10 10 JHCE CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867358783 JOHDYMOGUICMPM-RPLLCQBOSA-N 495.624 3.903 10 10 JHCE CC[C@@](C)(NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868762703 DXFFLLPOMIJNKQ-NIYFSFCBSA-N 455.574 3.647 10 10 JHCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccncc3)C2)n1 1869222162 BJYLENNNNZYMKA-DEOSSOPVSA-N 474.609 3.737 10 10 JHCE CN(C)c1ccc([C@](C)(O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1917172016 DFTMSSGLYFMNRQ-IGKIAQTJSA-N 460.530 3.952 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(Cc4ccc(OC)c(OC)c4)SC3=NC2=O)ccc1O 2296125462 FDBPMKNJTPWXJD-UHFFFAOYSA-N 466.519 3.670 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(O[C@@H](C)c4ccccc4)cc3)C(=N)N21 2297345253 GEALBBXOXUXSCH-AWEZNQCLSA-N 468.560 3.838 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)N[C@H](CO)Cc1ccccc1 2297482115 KBRQQSUIVSMGHJ-KRWDZBQOSA-N 461.008 3.651 10 10 JHCE CCCN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)c2ccccc21 2314767244 FHJQCEAQMJJUNA-GOSISDBHSA-N 452.557 3.929 10 10 JHCE O=C(O)CCCNC(=O)CN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15036725 QVWCCCVNKLTNMA-AQTBWJFISA-N 456.545 3.661 10 10 JHCE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccccc2O)cc1 21659105 GTPYYWGTDVACLM-HSZRJFAPSA-N 480.524 3.924 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-c5cccs5)nn4)C3)CC2)cc1 22486339 BAFOLFZVPQKULP-LJQANCHMSA-N 463.607 3.779 10 10 JHCE CCCOc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619390 YABWCKYBRQAZGD-RUZDIDTESA-N 499.633 3.919 10 10 JHCE Cc1ccccc1CS(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 62694792 NWRUGHKIMJBRSJ-UHFFFAOYSA-N 483.609 3.872 10 10 JHCE CC(C)(C)c1ccc(/C=C2\SC(=S)N(NC3=NS(=O)(=O)c4ccccc43)C2=O)cc1 95925859 ZANCLYVDLGIORW-VBKFSLOCSA-N 457.602 3.839 10 10 JHCE CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCSc2nccs2)CC1 1596249759 JPVVIWHOCFRGSK-UHFFFAOYSA-N 486.667 3.781 10 10 JHCE CCc1cccc(C)c1N1C[C@@H](C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865922187 IOKXYRLMGFLDMX-XUZZJYLKSA-N 459.594 3.616 10 10 JHCE CNC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871015717 VWPOYKVERDYHQC-UHFFFAOYSA-N 469.545 3.772 10 10 JHCE COc1cccc([C@@H]2[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)c1 1874179755 NTUKIFJTNGCRIW-GBXCKJPGSA-N 454.482 3.629 10 10 JHCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 2297341037 IJOUOMSXLRNKIK-UHFFFAOYSA-N 482.543 3.943 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 2297346532 XRWGISBBAYFVEB-UHFFFAOYSA-N 469.592 3.722 10 10 JHCE COc1cncnc1NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 2297511393 HOKSVGXPQSTNNY-UHFFFAOYSA-N 498.952 3.658 10 10 JHCE CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)C(=Cc3cccs3)SC2=S)CC1 2297554620 MPYRMBPJEWBQRL-UHFFFAOYSA-N 481.665 3.810 10 10 JHCE CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)SC1=S 2314741044 TVTSPIKHCWSSLW-UHFFFAOYSA-N 460.371 3.708 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COC)C(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37422467 UTCXMGPQMWMNKX-UHFFFAOYSA-N 478.611 3.693 10 10 JHCE C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(NC(=O)c2ccccc2)c1 920637465 HGQIWINVINPLBY-HNNXBMFYSA-N 454.504 3.934 10 10 JHCE Cc1cccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(O)cc2=O)c1C 1859616511 NGJONIQXVBKVAU-UHFFFAOYSA-N 465.465 3.583 10 10 JHCE CCOc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 1862048690 KUGOOTAWCYNVGL-HHHXNRCGSA-N 487.600 3.784 10 10 JHCE CCN(CCc1ccncc1)c1nc(=Nc2ccc(C)cc2O)nc(N(CC)CCc2ccncc2)[nH]1 1871731881 MKKNKYGGPDEOHX-UHFFFAOYSA-N 498.635 3.979 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)N[C@@H]3CCCC[C@H]3C)cc1C2=O 1873866275 FXMZEBFIVLMMBJ-BFUOFWGJSA-N 463.486 3.621 10 10 JHCE CC(C)(O)CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2180669739 FUXWIGVYRVUPLF-FQEVSTJZSA-N 472.582 3.723 10 10 JHCE CCOc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)NC(C)C)cc3)C(C(=O)OC)=C2C)cc1 2294737410 SIEDJIAESRCITI-UHFFFAOYSA-N 478.545 3.866 10 10 JHCE O=C(O)c1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 2296883511 WYPRIGQXCYXSTG-UHFFFAOYSA-N 463.334 3.694 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 2297551013 OBQCJLUGLIAALN-UHFFFAOYSA-N 461.449 3.686 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(O)c(OCC)c3)SC2=S)cc1 2314827875 OJNXDBNAEFIDMJ-UHFFFAOYSA-N 486.571 3.808 10 10 JHCE COc1cccc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1OC 35623338 HIXADNQXEJLQED-NVNXTCNLSA-N 462.465 3.749 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Br)c(Cl)c3)cc2)CC1 1138228459 ALUWYJKTPCBXKZ-UHFFFAOYSA-N 450.764 3.701 10 10 JHCE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCSc1nccs1 1705474293 GGKLAEIIKKKHTQ-OAHLLOKOSA-N 475.043 3.958 10 10 JHCE COc1ccc(N2CCN(C(=O)CCN(Cc3cccnc3)C(=O)OC(C)(C)C)CC2)cc1 1858127433 RDYHNQFCCHZEPQ-UHFFFAOYSA-N 454.571 3.566 10 10 JHCE COc1ccc2c(c1)c(/C=C1/SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C1=O)cn2C 1858592490 PTDMJWUAMIFAOX-LKQKOTCASA-N 468.556 3.790 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 1862112045 NGUXTUPMAVIERZ-UHFFFAOYSA-N 474.001 3.750 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015795 VKBDOTATUFEUGV-QGZVFWFLSA-N 488.466 3.832 10 10 JHCE C[C@@H]1CCCC[C@@H]1NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016822 YAESEUKRPSZMCJ-FYINFDKHSA-N 474.561 3.888 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H]4C[C@H]4c4ccccc4Cl)n(C)n3)CC2)cc1 1869969552 QGWLPTGBLXWMOO-PMACEKPBSA-N 466.973 3.546 10 10 JHCE COc1ccc(N2CCN(c3nc(Nc4ccc(OC)cc4C)ncc3[N+](=O)[O-])CC2)cc1 1871312505 ZRYFUNYXUIZKOR-UHFFFAOYSA-N 450.499 3.781 10 10 JHCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 15046707 XZGFDFNVVKDPPQ-CQLSMYGBSA-N 458.561 3.941 10 10 JHCE Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 33450937 QJUIOMXKZFTWJY-WJDWOHSUSA-N 483.596 3.830 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3ccccc3OC)c3ccco3)CC2)cc1 38619991 YWEMKEYCXVJJMP-JOCHJYFZSA-N 450.539 3.982 10 10 JHCE Cc1c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(NCc2ccco2)n(C)c(=O)c1C#N 208270246 PEVUZKCLMOXGOB-VCHYOVAHSA-N 454.577 3.914 10 10 JHCE BrC1=CCCN(c2nnc([C@H]3CCOC3)n2CCCSc2nccs2)C1 1740535397 VAFUWGRUEDFKNQ-ZDUSSCGKSA-N 456.435 3.910 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)O)sc(C)c1-c1ccc(OCC)cc1 1860762846 SYCZTMWWQUEEFW-KRWDZBQOSA-N 490.578 3.853 10 10 JHCE CC[C@@](C)(NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861924495 JMCDSJSGHSTNRR-HSZRJFAPSA-N 463.500 3.961 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 1861947753 ZFGVNAJNZZAPIX-PBCPJNDBSA-N 472.010 3.612 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 1862179913 ARDYQODTPQPFME-HSZRJFAPSA-N 486.012 3.684 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@H]2c1ccc(O)c(O)c1 1864016253 KLGOYDOXPBDDQT-QFIPXVFZSA-N 497.555 3.777 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864021205 MZDWZFSCLDMEHK-QFIPXVFZSA-N 476.577 3.832 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026081 JJJRKQQJAKVJBP-QHCPKHFHSA-N 492.551 3.887 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865028978 CQMZJZQFISLOLU-JOCHJYFZSA-N 474.561 3.943 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868708109 FXWMNVWJXHJZHV-SQJMNOBHSA-N 481.637 3.995 10 10 JHCE CCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871469944 CGTMTQPEDLDHIN-UHFFFAOYSA-N 484.402 3.567 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(OC)cc3C)n4C)CC2)cc1 1873650315 IJJFCYKHLBXPNM-UHFFFAOYSA-N 486.576 3.873 10 10 JHCE CCOC(=O)[C@@H](C)N1C(=O)SC(=Cc2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C1=O 2293990245 JYFQYJNQRDXTLB-SECBINFHSA-N 462.307 3.533 10 10 JHCE O=C(C=C[C@@H]1CC=CCC1)Oc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2296538244 IMPCYPFETZEDOE-SJLPKXTDSA-N 489.640 3.893 10 10 JHCE CCCOc1ccc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OCC 2323686584 QUJVPAKATXPGFN-UHFFFAOYSA-N 492.644 3.923 10 10 JHCE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccc(O)cc2O)cc1 8587542 SOMBHLHHBAFCMC-QHCPKHFHSA-N 496.523 3.630 10 10 JHCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OC)c(C)c4)n3)cc21 11857631 CCLKDQDPLJBUBZ-UHFFFAOYSA-N 459.549 3.673 10 10 JHCE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1OC 15051248 VBCFQAOAMIYLFW-VXIUPONVSA-N 468.556 3.546 10 10 JHCE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990127 VRZBFSLFCQWWPC-BFURNPMBSA-N 488.679 3.768 10 10 JHCE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 40066475 UKUVZLAZAJMGMX-NDENLUEZSA-N 498.630 3.517 10 10 JHCE Cc1cccc2cc(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12 40562678 GEAJZDCUFKAKKR-PDGQHHTCSA-N 454.621 3.855 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)C(=O)N=C2O)ccc1OCCO 59861194 NPMBMYZJPFXLTO-XNTDXEJSSA-N 489.322 3.952 10 10 JHCE COc1cc(/C=C2/N=C(c3ccccc3)N(c3ccc(S(=O)(=O)O)cc3)C2=O)cc(OC)c1OC 98065032 XLCWOBYWUBOGDN-DEDYPNTBSA-N 494.525 3.794 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 252671518 NKAUIIBOXDOGLC-QFIPXVFZSA-N 482.005 3.518 10 10 JHCE CCc1nn(CC)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865025868 FECMLGZNIDLGBC-HSZRJFAPSA-N 487.604 3.517 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)CC2)cc1 1872718235 CDLFVDBYHNMSSB-UHFFFAOYSA-N 483.546 3.693 10 10 JHCE O=C(CSCCc1ccccc1)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2040499571 KHFYQCDPFNNSAM-UHFFFAOYSA-N 486.640 3.709 10 10 JHCE CCC1=NN(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106632 OFYBGLNRPZVJJG-UHFFFAOYSA-N 467.541 3.737 10 10 JHCE Cc1ccc2c(c1)N(CCO)/C(=C/c1sc3ccccc3[n+]1CCCS(=O)(=O)O)S2 3639854 AULNCLYIAFSGDR-UHFFFAOYSA-O 463.626 3.678 10 10 JHCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1ccc(S(N)(=O)=O)cc1 20286879 LPUIKNMOXCLGCM-RCCKNPSSSA-N 483.619 3.553 10 10 JHCE Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(I)c3)C(O)=NC2=S)cc1 34234588 QKQZIMJAVZPNFQ-JYRVWZFOSA-N 464.284 3.977 10 10 JHCE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21 39983410 VFMNQELXADUHKX-YWBAYFEHSA-N 493.610 3.731 10 10 JHCE COc1cc(OC)cc(C(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c1 62694571 DRXMDEOYDDZBFX-UHFFFAOYSA-N 479.552 3.891 10 10 JHCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865027227 WJOSQEZDQYPHSB-OAQYLSRUSA-N 480.952 3.621 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027770 KVCRFQZBPKGYPE-HSZRJFAPSA-N 490.560 3.698 10 10 JHCE NCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079216035 VYLSJKORKAMNLX-UHFFFAOYSA-N 465.135 3.738 10 10 JHCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 2294279961 LJPXKCVSZOLRGV-UHFFFAOYSA-N 470.529 3.597 10 10 JHCE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C)c3)c3ccccc32)SC1=S 2296538487 RSTLEZPOFVIAAN-UHFFFAOYSA-N 451.573 3.962 10 10 JHCE O=C(CCN1C(=O)C(=Cc2cccc(Cl)c2)SC1=S)N[C@H](CO)Cc1ccccc1 2296885228 JYEKEIXDYCFYEZ-SFHVURJKSA-N 461.008 3.651 10 10 JHCE CCN1CCC[C@H]1CNC(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C 10013158 LBTRFTFYGBFYFF-FQEVSTJZSA-N 494.665 3.549 10 10 JHCE CC(C)N1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 33339531 KNIMDAQOTCVYIZ-CAPFRKAQSA-N 491.642 3.631 10 10 JHCE CCOc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(O[C@H](C)C(=O)O)c(OCC)c3)C2=O)c1 33430525 TZCZYEMKILXHCU-XWAFYUISSA-N 468.462 3.843 10 10 JHCE COc1ccc(N2CCN(c3ncnc(Nc4nc5ccc(OC)cc5s4)c3N)CC2)cc1 40727817 VYODLSLIWFUJOU-UHFFFAOYSA-N 463.567 3.756 10 10 JHCE COc1cc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)c(Br)c(Br)c1O 103423071 KQYNVLHXIHYHRS-IZZDOVSWSA-N 486.091 3.526 10 10 JHCE Cc1nc(Nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2)cc(N2CCCC2)n1 585431398 JETLHNYZULJRGB-UHFFFAOYSA-N 467.580 3.934 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4cccc(C)c4)n4ccccc34)CC2)cc1 1858223738 CMKRDOHWOTYDCF-UHFFFAOYSA-N 483.572 3.544 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008046 ASZMVHFAHWPKNA-FQEVSTJZSA-N 468.941 3.856 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018576 OGLJWRPRWLJJRU-HSZRJFAPSA-N 497.555 3.560 10 10 JHCE COc1ccc(C2=NN(c3ccccn3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679647 YBNQQGHTQMSNHV-LDADJPATSA-N 458.430 3.604 10 10 JHCE CCCC[C@H](NC(=O)CCc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868599910 JCECFCIVTGPWJL-DEOSSOPVSA-N 455.574 3.791 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868867541 HFCGZGJTQKMFIO-GAJHUEQPSA-N 455.986 3.696 10 10 JHCE CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868983294 BYIRVTHDYOAQAD-HHHXNRCGSA-N 493.583 3.576 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4sccc4C)n(C(C)(C)C)n3)CC2)cc1 1869970237 GGLDCEGOWUTFPD-UHFFFAOYSA-N 454.600 3.991 10 10 JHCE CNC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016643 QCAVOXPFBFOYMM-HSZRJFAPSA-N 462.550 3.508 10 10 JHCE O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1c1ccc(O)c(O)c1O 1906074461 SNUAVKMCGUIQPI-WOJBJXKFSA-N 461.470 3.853 10 10 JHCE COc1ccc([C@H](n2nc(C3CC3)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2080001788 NTMDJHKRAYXMSH-INIZCTEOSA-N 467.307 3.568 10 10 JHCE COc1cc(C=C2SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc(OC)c1OC 2293039521 HWJLPBJFPGOKAC-UHFFFAOYSA-N 494.978 3.911 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1 20208194 BBDHMAVCIXXFEO-NIIVYLOLSA-N 460.562 3.751 10 10 JHCE COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)CCC(=O)NCc1ccc(N(C)C)cc1 64867038 YUPMFZWYRRWVOP-UHFFFAOYSA-N 471.579 3.513 10 10 JHCE Cc1cc(C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 109239868 RWJBQDXUBAJVRE-JQVVWYNYSA-N 453.583 3.579 10 10 JHCE CCN(CC)c1ccc(C=c2sc3nc(/C=C/c4ccc(OC)c(OC)c4)nn3c2=O)cc1 254738328 UVXQNPYZWYGCAG-GPYXVNPCSA-N 462.575 3.733 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862207137 YWTXHYPAGRTJHU-FQEVSTJZSA-N 467.610 3.830 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864013910 ITKLDOZVJASOJK-IBGZPJMESA-N 468.579 3.729 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@H]2c1ccc(O)c(O)c1 1865031929 RJKPNHZPHFVBCY-QHCPKHFHSA-N 494.551 3.778 10 10 JHCE CC(=O)c1ccc2c(c1)oc(=O)n2[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865769725 ZVZMGECGIYYEQQ-ZDUSSCGKSA-N 454.438 3.772 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3nc(C(C)(C)C)n4ccccc34)C(C)C)CC2)cc1 1868791633 QJEDNHPWVJCNGX-HSZRJFAPSA-N 491.636 3.744 10 10 JHCE CCOCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871582090 LBEAMDUTIQXVPP-UHFFFAOYSA-N 491.640 3.773 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873165134 DFGLOWJNRUONOV-UHFFFAOYSA-N 460.553 3.665 10 10 JHCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCO1 2163089299 JPDRVYATRMRUBA-KKSFZXQISA-N 476.618 3.680 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1O 2313558776 JPWUJPVLJMILTD-UHFFFAOYSA-N 465.300 3.524 10 10 JHCE COc1cc(S(=O)(=O)O)c(C)cc1/N=N\c1c(O)ccc2cc(S(=O)(=O)O)ccc12 100996072 UQWIHFJXDRNUDP-VXPUYCOJSA-N 452.466 3.771 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 213221264 VBUQAGJJROMWCM-RFMKRLFESA-N 471.579 3.670 10 10 JHCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526625385 LMKTYXIBCVKUOU-XMMPIXPASA-N 491.496 3.888 10 10 JHCE Cc1cc(CCNC(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccccc1 727599139 GGZDBJWWLFGTSA-IBGZPJMESA-N 468.623 3.947 10 10 JHCE CCC[C@H](NC(=O)CCCOc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862226283 LFJQVHDBNKFEDH-DEOSSOPVSA-N 467.610 3.796 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cccc4ccccc34)CC2)cc1 1862240300 VMNVZRYXIFUSON-DEOSSOPVSA-N 461.587 3.712 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019564 MDSZIIHQFVWIOD-JOCHJYFZSA-N 476.577 3.762 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019611 NHIYOKVXKLZGAL-XMMPIXPASA-N 496.567 3.916 10 10 JHCE C[C@@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866715922 PSBUYSWWVLZEFX-NYHFZMIOSA-N 490.943 3.725 10 10 JHCE Cc1[nH]nc(C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1-c1ccccc1 1867273837 QEMQGJUWMCPUCQ-INIZCTEOSA-N 478.508 3.918 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](Cc3ccccn3)c3ccccc3)CC2)cc1 1868667660 LEJFZXCDGBRSEG-AREMUKBSSA-N 486.616 3.660 10 10 JHCE COc1cccc(O)c1CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2084904834 GHXIXKJJEKWQJL-UHFFFAOYSA-N 453.580 3.689 10 10 JHCE COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c1C 2294253344 CVERZSUEQAHSHD-UHFFFAOYSA-N 489.553 3.721 10 10 JHCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2ccccc2)c(C(=O)O)c1 2297341366 DWPVIRDDNVNQPG-UHFFFAOYSA-N 487.424 3.538 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(C=Cc4onc(C)c4NC(C)=O)cc3)CC2)cc1 2297425563 SWPIOCZXTBFGQM-UHFFFAOYSA-N 496.589 3.631 10 10 JHCE CN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 2297452947 UUZLQXXOXJZVSR-UHFFFAOYSA-N 469.382 3.642 10 10 JHCE COc1cc(C=C2C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 2297499489 IGBXGWUMLBGSFE-UHFFFAOYSA-N 493.545 3.816 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3cccc(O[C@H](C)C(=O)O)c3)SC2=S)cc1OC 2314930730 IKXSDKJEQGUQNZ-CQSZACIVSA-N 473.572 4.000 10 10 JHCE CCCC[C@@H](NC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328592195 QORFAJGHSHZJKE-XMMPIXPASA-N 480.565 3.640 10 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LLOYNBZFLWBEDU-MRXNPFEDSA-N 472.636 3.619 10 10 JHCE COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 2313557762 LILISBSAKNAJPZ-UHFFFAOYSA-N 475.476 3.995 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccccc1C(=O)OC 2313683260 VWAWYWGMMJNVMT-UHFFFAOYSA-N 464.503 3.735 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCOCC3)nc12 2314414196 SDVACWVYLBYDJN-KRWDZBQOSA-N 492.626 3.802 10 10 JHCE Cc1cccc2c1N(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)CCN2C(=O)OC(C)(C)C 2381020926 JCTMCVXZWPTGCN-PKOBYXMFSA-N 473.570 3.667 10 10 JHCE Cc1cc2c(N3CCC[C@@H](C(=O)NCc4ccc(N5CCOCC5)cc4)C3)nccc2s1 33174060 CVTIQUHCNPULSE-HXUWFJFHSA-N 450.608 3.974 10 10 JHCE O=C(O)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 33293743 FECOXZWWSSYGKH-FOCLMDBBSA-N 475.345 3.656 10 10 JHCE CCCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C(=O)OC)cc4)C3=O)o2)c1 33696648 NYQSSFWAWBJLBI-RCCKNPSSSA-N 474.469 3.761 10 10 JHCE CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1 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1865025520 ASBYZRNNQVJWPD-JOCHJYFZSA-N 462.550 3.935 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3cccnc3)CC2)cc1 1870610402 GTTILCJDHPEJQX-UHFFFAOYSA-N 474.605 3.967 10 10 JHCE NC(=O)[C@@H]1CN(C(=O)C=Cc2cn(Cc3ccccc3)nc2-c2cccs2)c2ccccc2O1 2040438412 HKHBGVPPJWJPLA-QFIPXVFZSA-N 470.554 3.953 10 10 JHCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccc([N+](=O)[O-])cc1Cl 10673503 CXKOUTJVVACVEX-CAOOACKPSA-N 491.934 3.608 10 10 JHCE COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(Cc2ccc(N4CCCC4)cc2)C3)cc1 14539005 XPAUIEAWHPOIKT-UHFFFAOYSA-N 487.648 3.995 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2F)c(OS(C)(=O)=O)c1 37421844 KEYUEQHRJFCSCW-HXUWFJFHSA-N 478.586 3.832 10 10 JHCE COC(=O)CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 40927946 OSOMXELQNWXCSD-PFONDFGASA-N 469.382 3.706 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54454462 WRTLOYKXJAOUPL-OAQYLSRUSA-N 465.015 3.781 10 10 JHCE COc1ccccc1C(=O)N[C@H]1c2ccccc2C2(CCN(Cc3c(O)cccc3OC)CC2)[C@@H]1O 207985923 NAEKKNBYVIPNSH-RRPNLBNLSA-N 488.584 3.789 10 10 JHCE COCC(=O)N(C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1c1ccccc1OC)C(C)C 248106089 IPVAVAPKCVDHPR-RCZVLFRGSA-N 453.627 3.860 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NCc4ccccc4F)[C@H]3C2)cc1 248143013 QVVUECTUEHBECS-ZEQKJWHPSA-N 490.535 3.926 10 10 JHCE CCCCCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870480084 QODSGNFKPDBGML-UHFFFAOYSA-N 485.625 3.700 10 10 JHCE CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017412 PQRPRSOOVCYDOW-CMJOXMDJSA-N 494.544 3.933 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C(C)(C)C)c(CO)c2I)c(O)c1 2079843322 FHURXMMNFYQPHH-INIZCTEOSA-N 456.324 3.991 10 10 JHCE CC1CCN(C(=O)COc2ccc(Br)cc2C=C2SC(=S)NC2=O)CC1 2314487250 OUJRFSUELYDZMX-UHFFFAOYSA-N 455.399 3.575 10 10 JHCE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cs1 11857658 UHTZCJAWCKQJDZ-ZDUSSCGKSA-N 459.549 3.672 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(-c4nc5ccccc5n(C)c4=O)cc3)CC2)cc1 33171797 VQJNDZMKXHCYJE-UHFFFAOYSA-N 454.530 3.572 10 10 JHCE CCc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 33417581 IRMAVOHMWGSSGS-LTGZKZEYSA-N 451.617 3.799 10 10 JHCE COCCN1C(=O)/C(=C/c2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33509046 IXAPIOMXDZCFDL-LGMDPLHJSA-N 458.609 3.595 10 10 JHCE O=[N+]([O-])c1cc([N+](=O)[O-])c(N=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 606508680 PSDIVOYKWCKHLG-UHFFFAOYSA-N 452.208 3.551 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3c[nH]c4cccc(Br)c34)cc2)CC1 1556199181 DOGURFHIJCISBX-UHFFFAOYSA-N 455.356 3.529 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007305 KEZDEKRGEPWOKY-HXUWFJFHSA-N 468.941 3.856 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864022811 RJHFEEOIQQHVIQ-PXAZEXFGSA-N 488.466 3.905 10 10 JHCE CSCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867778448 SAWVKGZOJLQQCY-LOSJGSFVSA-N 482.694 3.948 10 10 JHCE CCOC(=O)CN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2C)n1 1867959910 BJUPKTVSKOWSSJ-UHFFFAOYSA-N 475.593 3.787 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873166508 REYNFVUMRPUXDN-VWLOTQADSA-N 490.648 3.819 10 10 JHCE CCOC(=O)c1c(CC)nn([C@@H](CC)c2ccc(OC)cc2O)c1I 2079979736 UIAWFRRHAQDBIC-AWEZNQCLSA-N 458.296 3.940 10 10 JHCE O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2294229302 IAOOORGJKLHLOD-UHFFFAOYSA-N 496.342 3.769 10 10 JHCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)o2)cc1 2294279954 KUXNQOYZRJQQIY-UHFFFAOYSA-N 476.510 3.963 10 10 JHCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 2296879803 DBEKAMDUGQSPBL-UHFFFAOYSA-N 487.628 3.574 10 10 JHCE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2)c1 2297341126 ZXPDPVIXODSCBG-UHFFFAOYSA-N 452.517 3.854 10 10 JHCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NCc1cccs1 2297365878 BXWHEAPATYSUPS-UHFFFAOYSA-N 498.564 3.681 10 10 JHCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)c2C)cc1 20208727 QHRZTEZWIOJTGS-VQQXQELJSA-N 499.618 3.750 10 10 JHCE COc1ccccc1OCC(=O)N(CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CC1 96773868 GPYPHLWUVQOJSE-UHFFFAOYSA-N 498.535 3.869 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCc1nnc(-c2ccccc2)o1 206725910 BSRCXXHKNXXBME-OBGWFSINSA-N 464.572 3.687 10 10 JHCE C=CCO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCNC(=O)C(C)C)C1 1705917955 ZUMHXNWMRBZIEZ-HSZRJFAPSA-N 476.625 3.906 10 10 JHCE O=C(O)CCc1sc(NS(=O)(=O)c2ccc3nc(O)oc3c2)nc1-c1cccs1 1858070619 XIHUSOXQUBMCDW-UHFFFAOYSA-N 451.507 3.536 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1862122031 XCCOUBXJTMCRPN-NRFANRHFSA-N 457.574 3.681 10 10 JHCE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007933 XSXFAHKHHOXWTI-XMMPIXPASA-N 498.539 3.612 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@H](C)CC)[C@@H]2c1ccc(O)c(O)c1 1864015938 GUMOKUYXLYCQGW-FOIQADDNSA-N 462.550 3.981 10 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COC(=O)COc1ccc(C=C2C(=O)N(c3cc(Cl)ccc3[N+](=O)[O-])N=C2C)cc1OC 2297365423 FZDYMVOUBFXHGW-UHFFFAOYSA-N 459.842 3.615 10 10 JHCE CN1C(=O)C(=Cc2cc(Br)c(OCC(=O)O)c(Br)c2)SC1=S 2297559158 WHMGEGKGNRVPRX-UHFFFAOYSA-N 467.160 3.506 10 10 JHCE COc1cc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc(I)c1O 2297559955 ZKQNTKVTBOCSGS-UHFFFAOYSA-N 473.313 4.000 10 10 JHCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2314413826 ISFOXFAJXZCKHS-OAHLLOKOSA-N 458.609 3.677 10 10 JHCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)NC3CCCC3)c3ccccc23)SC1=S 2326945284 JOBZTYZKTLCVJA-UHFFFAOYSA-N 471.604 3.766 10 10 JHCE COc1ccc(N2CCN(CN3C(=O)C4(O[C@@H]5CCCCC[C@H]5O4)c4ccccc43)CC2)cc1 20428375 ITBWGQSQTBSMAF-JWQCQUIFSA-N 463.578 3.722 10 10 JHCE CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)/C(=C\c3ccccc3)SC2=S)CC1 97550997 HOWSEYRQXHPSER-HTXNQAPBSA-N 475.636 3.749 10 10 JHCE Cc1sc2nc(/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 97992480 DEIRHRXIDSTNOV-HKWRFOASSA-N 464.591 3.601 10 10 JHCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 102681916 OOSUKMUSNAOKAI-ZDTJHVFISA-N 498.674 3.865 10 10 JHCE COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 727241867 KDBXSZZJASNPDK-UHFFFAOYSA-N 452.485 3.554 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864012098 RADGGAVXSDWJFX-IBGZPJMESA-N 489.359 3.789 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028715 YKRCVRMWARMQDP-QFIPXVFZSA-N 462.550 3.522 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCCCCO)CC2)cc1 1870611993 IFCDAKVBXZIUEG-UHFFFAOYSA-N 469.626 3.687 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3CCSCC3)nc12 2040499213 UXXUZDOIZPLTIZ-UHFFFAOYSA-N 494.667 3.958 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C(F)F)c(CO)c2I)c(O)c1 2079875232 QYYXZVCXCAYCBJ-CQSZACIVSA-N 450.223 3.631 10 10 JHCE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 2293264730 RRTZKAOCGYQLDC-UHFFFAOYSA-N 466.519 3.801 10 10 JHCE COCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2296542732 GMKMFWGULAJRHE-UHFFFAOYSA-N 480.615 3.771 10 10 JHCE O=C(O)CN1C(=O)C(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S 2297577643 JZUPCAUCPGNSHJ-UHFFFAOYSA-N 461.433 3.581 10 10 JHCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc(OC)c(Cl)cc1OC 2313682393 BOWRBUVGOHTWAC-UHFFFAOYSA-N 488.884 3.917 10 10 JHCE CCOC(=O)[C@H](C)N1C(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)SC1=S 2314740689 LVUYJUHPFJKVIU-VIFPVBQESA-N 460.371 3.706 10 10 JHCE C[C@H](NC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 15048513 VQJMQVIQHHNBAD-NGVROJSHSA-N 456.545 3.658 10 10 JHCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@@H]5CC[C@H](C)C[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 20740034 YUSXHOLQWZJZER-MTNREXPMSA-N 478.549 3.856 10 10 JHCE Cc1ccc(CN2C(=O)/C(=C3/SC(N4CCOCC4)=NC3=O)c3cc(Br)ccc32)cc1 33314230 JDBAVPCFBKIAKB-FMQUCBEESA-N 498.402 3.977 10 10 JHCE CCCCCCN1C(=O)/C(=C\c2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 33470641 LJPVUYIESSLRAP-OBGWFSINSA-N 472.636 3.621 10 10 JHCE CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33781522 FUJVCKHTGKPSOF-GZTJUZNOSA-N 454.552 3.975 10 10 JHCE Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c1C 248103288 KQAQLHMKXVKPSG-UHFFFAOYSA-N 451.592 3.986 10 10 JHCE CCN1C(=O)NC(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)C1=O 1084424375 PVMORLPRKYLRSY-WQRHYEAKSA-N 452.308 3.934 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)CC1 1138229068 SZWUIUXKGVBMOG-UHFFFAOYSA-N 452.942 3.902 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 1860761516 WRYHHHGLIWAQLI-MRXNPFEDSA-N 460.552 3.681 10 10 JHCE CCCC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861935867 UJMXCJRFOHOGBT-RGCCYVKUSA-N 495.620 3.749 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Br)c4)n(C)n3)CC2)cc1 1862353554 GTLMDDZIKJHIAL-UHFFFAOYSA-N 455.356 3.821 10 10 JHCE CCC[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865837365 RSGWWJCNRCEFIJ-OAQYLSRUSA-N 482.492 3.874 10 10 JHCE CC[C@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867839135 UNRWDOBFNXNUEO-BJKOFHAPSA-N 454.590 3.744 10 10 JHCE CC[C@H](NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868669589 KJSNDXOGNLEYSU-SVBPBHIXSA-N 486.616 3.660 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)cc4Cl)n(C)n3)CC2)cc1 1869970117 YNXKQHYVGFGNID-UHFFFAOYSA-N 461.353 3.709 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F 2314827770 MATAZZXGRLWTFD-UHFFFAOYSA-N 454.451 3.957 10 10 JHCE O=C(NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)c1cccc([N+](=O)[O-])c1 33394208 MGQMMXWKSDZSOS-RIYZIHGNSA-N 464.322 3.904 10 10 JHCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1C 39836077 WFUMLSUETQIDAB-LICLKQGHSA-N 481.555 3.698 10 10 JHCE NC(=O)C1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)S2)CC1 95959918 BWEXAIGVJXKQOA-RCCKNPSSSA-N 457.559 3.707 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865026865 BUCBHYIFVNHIDW-SRGWNRLKSA-N 488.588 3.850 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(F)c(F)c(F)c3[nH]2)N2CCCCC2)cc1 1866514917 FAASVRLNLVBQQX-FQEVSTJZSA-N 472.511 3.968 10 10 JHCE CC[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867316940 IUGUQJRBJWGCNH-RPBOFIJWSA-N 466.626 3.613 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccccc2Br)N2CCCCC2)cc1 1867366533 KIRFJPNNCOMYIC-QFIPXVFZSA-N 487.442 3.588 10 10 JHCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(CN3CCOCC3)CC2)n1 1868479512 RGRAIVJSBPKZDJ-UHFFFAOYSA-N 497.599 3.853 10 10 JHCE COC(=O)c1c(C(C)(C)C)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2080038562 RZQHSXYHJBFBBC-JTQLQIEISA-N 458.296 3.895 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(OC)c1OC 2294106422 PINRGVHBVPIBOG-UHFFFAOYSA-N 451.262 3.686 10 10 JHCE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 2297352866 NHBRCCIPYHSFLT-UHFFFAOYSA-N 491.573 3.825 10 10 JHCE Cc1nn(Cc2ccccc2)c(C)c1C=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2313547787 BXEQWRRBQGMYKJ-UHFFFAOYSA-N 479.334 3.977 10 10 JHCE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 2313682301 ZOPFPBLPDPUAGV-UHFFFAOYSA-N 480.525 3.834 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)C1CCCC1 35962241 RQGWVOXQDQPXHK-HSZRJFAPSA-N 454.546 3.507 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310985 IMGQSJWWIFQMNC-HSZRJFAPSA-N 458.624 3.744 10 10 JHCE C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59443009 RBFPFAZNUAKLKI-PMQPGWGVSA-N 451.478 3.938 10 10 JHCE C[C@H](NCc1cccc(N2CCCS2(=O)=O)c1)c1ccc(N2CCOCC2)cc1Cl 765806418 CEMQIFSRYMGDQH-KRWDZBQOSA-N 450.004 3.567 10 10 JHCE COc1ccc(CO[C@@H]2[C@H](COC(C)=O)O[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@H]2OCc2ccccc2)cc1 1083816751 NOLUREWJMGQUDD-LJXDPWEESA-N 499.520 3.696 10 10 JHCE C#C[C@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H](C)CN1CCOCC1 1705478781 FXMLUGDZTIPYHF-SFTDATJTSA-N 460.626 3.779 10 10 JHCE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCSc1nccs1 1705558584 CATJUXFNVACHJX-IYBDPMFKSA-N 462.645 3.757 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)NCCOc2ccc(OC)cc2)sc(C)c1-c1ccc(C)cc1 1860760822 DNRYZVGWBYSPNO-UHFFFAOYSA-N 482.558 3.961 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864007872 WQTKEEXIRZSYGS-HSZRJFAPSA-N 486.503 3.742 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864012846 KTBVDRXKESYTHL-JOCHJYFZSA-N 476.577 3.824 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1 1868902601 IVEGYIBWHZQDDZ-KCHLEUMXSA-N 483.612 3.875 10 10 JHCE CCC[C@@H](NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868935624 ZPJOZQDBOZDZPS-JOCHJYFZSA-N 497.546 3.611 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)Oc4ccc(C(C)C)cc4)n(C)n3)CC2)cc1 1869969593 REJQOBMFLDFHBV-IBGZPJMESA-N 478.597 3.680 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCOc1ccccc1 1873898677 POEJEMURNAVKQR-UHFFFAOYSA-N 464.525 3.770 10 10 JHCE CNCc1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079259440 WSILWBYKAQICLL-UHFFFAOYSA-N 479.162 3.999 10 10 JHCE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccccc4C(=O)O)o3)C(=O)NC2=S)cc1 2297560403 GIACQRBDTVFRBU-UHFFFAOYSA-N 462.483 3.875 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400924 RHWCTZNBDCJFQA-HZPDHXFCSA-N 472.636 3.700 10 10 JHCE Cc1csc2nc(Cl)c(C=C3SC(=S)N([C@@H](Cc4ccc(O)cc4)C(=O)O)C3=O)n12 2318684106 PXNJCUXBVMNCMU-ZDUSSCGKSA-N 479.992 3.960 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCNC(=O)C=Cc3ccc(OC)c(OC)c3)C2=O)c1 2320656266 CHDIHKYAKSCFQL-UHFFFAOYSA-N 484.599 3.743 10 10 JHCE CC1=CN(CCO)/C(=C/c2sc3ccc4ccccc4c3[n+]2CCCS(=O)(=O)O)S1 3656836 JXHWHFCRPLYZAT-UHFFFAOYSA-O 463.626 3.821 10 10 JHCE O=C(O)CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)SC1=S 13350192 NZVQRYINYNSGFS-RUDMXATFSA-N 467.160 3.593 10 10 JHCE CN(C)c1ccc(CNC(=O)CSc2nnc(C(=O)Nc3cccc(Cl)c3)s2)cc1 33011923 KDMKAPCXBVOIRZ-UHFFFAOYSA-N 462.000 3.918 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 33668789 FOVLHAGNRXBHSV-NDENLUEZSA-N 459.458 3.793 10 10 JHCE CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)CCN3CCCCC3)C2=O)cc1OC 35519691 LVWURLSVCBCNPE-SILNSSARSA-N 477.652 3.983 10 10 JHCE COc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1Cl 39868812 YNBRYOZWAKEDNU-QGZVFWFLSA-N 471.406 3.898 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(C(=O)O)cc1 214756436 ROPUQHPKIZMNPY-SFQUDFHCSA-N 471.516 3.913 10 10 JHCE CCCOC(=O)c1cccc(CN(c2cccc3c2C(=O)c2ccccc2C3=O)S(C)(=O)=O)c1 586186459 XHGHJPWHLDHCJP-UHFFFAOYSA-N 477.538 3.995 10 10 JHCE COc1cc(N2CCC(NS(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc(OC)c1OC 1858044122 HDBNYPCKXQODSA-UHFFFAOYSA-N 460.596 3.539 10 10 JHCE CCC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861970014 ZTDNLZWXHFFFJZ-MHZLTWQESA-N 492.664 3.541 10 10 JHCE CC[C@@](C)(NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861999267 CVEKGNLSJJSQJS-PWUYWRBVSA-N 492.664 3.541 10 10 JHCE CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862062800 PVIUOVBHMZCCAF-MHZLTWQESA-N 487.600 3.784 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc4nc(CC(C)C)[nH]c4c3)CC2)cc1 1862107583 UKQGVWNVQJROLA-RUZDIDTESA-N 489.620 3.723 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013936 JONSPQZGTYUILU-FQEVSTJZSA-N 466.538 3.507 10 10 JHCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864015602 SUJXSZCDMQGSRV-INIZCTEOSA-N 480.487 3.774 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864015667 UYCIZNIYPIDHHU-HXUWFJFHSA-N 462.550 3.838 10 10 JHCE C[C@@H](NC(=O)CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)C1CCCCC1 1866249985 WBBJRRRIKRXFSI-KBMIEXCESA-N 453.631 3.947 10 10 JHCE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867875350 RISSLCRGMCDMGL-ILBGXUMGSA-N 495.624 3.821 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](c3ccccc3)N(C)C)c3ccccc3)CC2)cc1 1868675236 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498.631 3.793 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)/C=C/c3ccccc3Cl)CC2)cc1 1862147206 ORKOFMSQMNCBAI-PQCZLFTGSA-N 472.010 3.612 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026080 JJJRKQQJAKVJBP-HSZRJFAPSA-N 492.551 3.887 10 10 JHCE CC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868641759 GXAJMEPKEMZWQB-HSZRJFAPSA-N 494.567 3.584 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873166058 AFWIPMJVTFLIAI-QHCPKHFHSA-N 456.546 3.538 10 10 JHCE NC(=O)c1c(NC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)sc2c1CCCC2 2293069243 MZCIKMFVHKVGFK-UHFFFAOYSA-N 457.602 3.566 10 10 JHCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1ccc(O)cc1 2293905435 GMLIEKHODFZISX-UHFFFAOYSA-N 468.332 3.777 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1F 2297342143 FSQIMZMTYZNBIC-UHFFFAOYSA-N 491.431 3.988 10 10 JHCE O=C1N=C(N2CCOCC2)SC1=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 2297346558 TUEZYLBQIKJPNP-UHFFFAOYSA-N 473.348 3.971 10 10 JHCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 2297352696 MULBCSOXTQSCHH-UHFFFAOYSA-N 498.996 3.665 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2314414109 PWQOFCZGNZFDPE-INIZCTEOSA-N 472.636 3.985 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(N3CCOCC3)C2=O)cc1 2314488829 PIDSSMCYIXBBMM-UHFFFAOYSA-N 478.599 3.996 10 10 JHCE CCOc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 2314837493 SWCBJJYRZYQNGW-GFCCVEGCSA-N 472.544 3.718 10 10 JHCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1OC 14479641 LWONUWQYAKTPJI-RXPSNABZSA-N 470.591 3.988 10 10 JHCE COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)cc2)c1 20356509 UVZYARNGNDBQJZ-NSTMVBSBSA-N 489.557 3.977 10 10 JHCE O=C1/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 33445628 WBJQZBXXFDKGRW-KNTRCKAVSA-N 462.600 3.739 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210701628 HRJYDQWHKSCIMG-LFIBNONCSA-N 458.477 3.733 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 214754990 JHFIPRKPNZUPIF-GZTJUZNOSA-N 459.505 3.539 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865035398 SMILPTSQQKCSFH-FQEVSTJZSA-N 454.571 3.752 10 10 JHCE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867357205 YOXQYGWYPXFYBG-DNQXCXABSA-N 481.597 3.513 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(C3CC3)C2=O)cc1 1873422241 MWNJRVIKYBWZPK-UHFFFAOYSA-N 475.570 3.852 10 10 JHCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCC(C)C)ncnc21 1875201769 CAIHWVPWIXMBTD-UHFFFAOYSA-N 450.587 3.880 10 10 JHCE CCc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)c2C)cc1 2297346129 GDYXETSOSXAYPB-UHFFFAOYSA-N 469.592 3.668 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2nc(CC(=O)O)cs2)C1=O 2314933784 DILWJDUHOWDRIO-UHFFFAOYSA-N 459.574 3.556 10 10 JHCE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(Cl)cc3)c3ccccc32)SC1=S 1303342 SPFNPYBLAYBDOV-ISLYRVAYSA-N 457.964 3.917 10 10 JHCE O=C(COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O)Nc1cccc([N+](=O)[O-])c1 39794011 WJLYGPDKBFOPBV-CHHVJCJISA-N 494.348 3.864 10 10 JHCE COc1c(C(=O)N=NC(N)=S)nn(-c2cccc(Cl)c2)c1NNc1ccc(N(C)C)cc1 255982747 KDPXOVMDGVEIDH-UHFFFAOYSA-N 472.962 3.875 10 10 JHCE COc1ccc(OC)c(N2C(=O)/C(=C/N3CCN(c4ccc(F)cc4)CC3)SC2=S)c1 1084363453 BKBUDUHDDMJETO-ZHZULCJRSA-N 459.568 3.871 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1861929282 VHIQRKAUCOGPKW-HXUWFJFHSA-N 480.417 3.866 10 10 JHCE CCC[C@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867160642 XPSMLKFTQQLQGR-NRFANRHFSA-N 493.523 3.784 10 10 JHCE Cc1nnnn1C(=Cc1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 2040429395 ZSTCZFCBFGZJLB-UHFFFAOYSA-N 485.500 3.542 10 10 JHCE CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3N=C(C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)SC3=NC2=O)cc1 2059064164 IDCPLPMUSMFTIA-REQJMOIHSA-N 484.603 3.861 10 10 JHCE COc1ccc([C@H](C(C)C)n2nc(C3(C)CC3)c(CO)c2I)c(O)c1 2080054367 PGVRCZWFKZEKOK-INIZCTEOSA-N 456.324 3.991 10 10 JHCE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)C(=O)c2ccn(-c3ccc(N)cc3)n2)C1 2175846247 FGRDLCBXPHISRL-UHFFFAOYSA-N 463.538 3.648 10 10 JHCE COc1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1OC 2297364515 SJEGXVJNDHHZJL-UHFFFAOYSA-N 486.480 3.585 10 10 JHCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 2314764483 DMINWHAIDZKNPN-UHFFFAOYSA-N 494.779 3.971 10 10 JHCE COc1cc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2C)ccc1OCCN1CCOCC1 2332105271 OATSQWKKSKIMQS-UHFFFAOYSA-N 469.969 3.861 10 10 JHCE COC(=O)c1ccccc1N/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 8991184 ZZHVVCSAIVAOTA-UYRXBGFRSA-N 458.561 3.847 10 10 JHCE Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 15034308 AMOAWERNNYESHM-MFOYZWKCSA-N 476.963 3.952 10 10 JHCE C[C@@H](NC(=O)CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 15036990 JBZHYJGKNBHDLG-LPXFMOJISA-N 450.541 3.784 10 10 JHCE C[C@H](C(=O)NCCC(=O)O)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15047898 YRWLMRJWWSPFBE-VVTMIQRTSA-N 456.545 3.660 10 10 JHCE Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1C 20356678 XDKSIXOVKUYYMS-NHOPXOSBSA-N 462.579 3.620 10 10 JHCE CC[C@H](C)[C@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1616044629 JEMXXGADCPKTBD-SFBLDSMTSA-N 474.605 3.702 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCCC4=CCCCC4)n4ccccc34)CC2)cc1 1858224018 LIFAOFRQGJCZHQ-UHFFFAOYSA-N 487.604 3.926 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc5nc(O)[nH]c5c4)n4ccccc34)CC2)cc1 1858355289 GDTUEYBAPLCEKH-UHFFFAOYSA-N 468.517 3.554 10 10 JHCE CCN1CCC[C@@H]1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860344800 GVDBHRKNNVPQLC-PIIWDFAUSA-N 485.632 3.779 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCCOc3ccccc3Cl)CC2)cc1 1862226437 PPMOQIXDWMOIRF-HSZRJFAPSA-N 486.012 3.847 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008553 MSQJKZFHEIZUHT-XMMPIXPASA-N 482.540 3.911 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@H]2c1ccc(O)c(O)c1 1864009259 CYERIVDVBZPCIR-QFIPXVFZSA-N 462.550 3.641 10 10 JHCE CC(C)N1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865877039 QXKJZZFUGCWXET-XMMPIXPASA-N 462.594 3.714 10 10 JHCE CCCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2040499431 YDQXXLCSLPSLEJ-UHFFFAOYSA-N 460.650 3.557 10 10 JHCE CCOC(=O)CN1C(=O)SC(=Cc2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 2297350424 MDRVREBSJJBWBD-UHFFFAOYSA-N 459.480 3.610 10 10 JHCE CCN1C(=O)C(=Cc2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509122 ZJTRIWPAPQCWGT-UHFFFAOYSA-N 465.575 3.589 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)cc1 2314828225 RNDBFBQRJNHOPJ-UHFFFAOYSA-N 472.544 3.505 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCCC(=O)O 2314932516 NJIMWCHLVXLYPM-UHFFFAOYSA-N 492.962 3.748 10 10 JHCE COc1ccc(N2CCN(CCNc3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)CC2)cc1 742926534 DIIAULKIWWPDFS-UHFFFAOYSA-N 474.392 3.782 10 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UKHMYKOLXQRSHO-UHFFFAOYSA-N 458.562 3.784 10 10 JHCE CC(=O)NCCN1C(=O)C(N[C@@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168447 VZHCHBPTPHMGIZ-FQEVSTJZSA-N 470.573 3.661 10 10 JHCE Cc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C(N)=O)c2I)c(O)c1 2079005950 SNDXJIJQSVVOHK-HNNXBMFYSA-N 451.308 3.652 10 10 JHCE COc1ccc([C@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079847723 XLLKZWYHYCMLRV-ZDUSSCGKSA-N 497.255 3.955 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2cc(Cl)ccc2O)C1 2250304503 GQDIMPVWLNXRBR-UHFFFAOYSA-N 455.983 3.992 10 10 JHCE Cc1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)cc1 2297306656 RWDFBIDBHUHGOU-UHFFFAOYSA-N 460.533 3.866 10 10 JHCE COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br 2297322383 KRAOZZSVCBGNRN-UHFFFAOYSA-N 451.729 3.942 10 10 JHCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(C)c3ccccc32)SC1=S 2314769955 XHZYZEZADOMGJT-SFHVURJKSA-N 452.557 3.929 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1C(=O)O 2314934974 LMXAYDROQDJFBY-UHFFFAOYSA-N 480.470 3.532 10 10 JHCE COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)cc1C 11857736 PLOJEKBDLBRQQQ-CQSZACIVSA-N 473.576 3.980 10 10 JHCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1 33677048 SSHZEPQDFFLZPU-RCCKNPSSSA-N 450.535 3.685 10 10 JHCE CCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066415 DZPNMPNPZUCVNY-NDENLUEZSA-N 498.630 3.551 10 10 JHCE COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Cl 59533983 SOJAIXMMKDXTKU-CHHVJCJISA-N 477.300 3.828 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)CC2)cc1 743285580 AOXLCJAFKCGLEH-UHFFFAOYSA-N 479.503 3.616 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)CC[C@H](O)c3ccc(C(C)(C)C)cc3)cc2)CC1 1638588160 YYBQBRLUGNZCRJ-VWLOTQADSA-N 451.611 3.783 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865035298 QFAUMVXIDOZAQN-JOCHJYFZSA-N 492.551 3.751 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](C)c3cccc(OC)c3)C(C)C)CC2)cc1 1868944254 WCGMRTOHIXBHCU-FQRUVTKNSA-N 467.610 3.687 10 10 JHCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873169823 XSXIOTLBBWSQBQ-UHFFFAOYSA-N 466.626 3.530 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OC 2294095109 JNRNZJKFXLJVRU-UHFFFAOYSA-N 459.296 3.831 10 10 JHCE COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2)cc1OC 2297341054 LJEAPSXDSYCODK-UHFFFAOYSA-N 482.543 3.863 10 10 JHCE COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N(CC(=O)O)C3=O)cc2)cc1 2314548593 BHQAYDMZEQDAFS-UHFFFAOYSA-N 455.513 3.600 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C=Cc3ccco3)CC2)cc1 2331414609 SSOCMTJKRIHWDR-RUZDIDTESA-N 477.536 3.517 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12 33572380 HAVBHLXZWUQMDE-JZQBQCRLSA-N 492.626 3.995 10 10 JHCE COc1ccc(N2CCCN(c3nc(CN4CCOCC4)nc4sc(C)c(C)c34)CC2)cc1 108088920 CTEMQHJROXKHHN-UHFFFAOYSA-N 467.639 3.866 10 10 JHCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@H]43)C[C@@H]2C)cc1 504214211 QNAQXRSCTQFKEU-VCFJMTNESA-N 454.611 3.733 10 10 JHCE biogenic COc1ccc(N2CCN(CCNC(=O)Nc3ccc(N4CCSCC4)c(Cl)c3)CC2)cc1 749002419 IFVVYQVONDVGIK-UHFFFAOYSA-N 490.073 3.846 10 10 JHCE COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1C 1083952897 RCGULNALFMNGBS-BKUYFWCQSA-N 475.476 3.995 10 10 JHCE COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c(OC)c1 1084629575 VCWWTANFVDDMOA-BOPFTXTBSA-N 452.463 3.934 10 10 JHCE CCOC(=O)C(/N=N/c1ccc(S(=O)(=O)N[C@@H]2N=CCC(C)=N2)cc1)=C(\O)c1ccccc1 1616046017 MFUFTRAEVVGODW-RATFPSQGSA-N 469.523 3.758 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@](C)(O)C(C)C)CC1 1760597193 HAYNFICUMRDXBZ-MHZLTWQESA-N 478.641 3.818 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc(OCC(C)C)cc3)CC2)cc1 1862264067 VPCKQALIQYVAHJ-UHFFFAOYSA-N 453.583 3.587 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(F)c(F)c(F)cc3c2=O)N2CCCCC2)cc1 1866432334 OQKSVDPLNKLHKW-HXUWFJFHSA-N 472.511 3.968 10 10 JHCE CC[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868905226 BALYCLPMOGEUFO-DEOSSOPVSA-N 492.645 3.995 10 10 JHCE CCOCCOC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871122204 TZIAPHSAHJLXDQ-FQEVSTJZSA-N 495.576 3.543 10 10 JHCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N([C@@H](C)c2ccccc2)C1=O 1873166968 MTMGJVLBGHKFCP-FQEVSTJZSA-N 470.573 3.661 10 10 JHCE COc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)c(Br)c(OC)c1OC 1873744619 IZCSPZGFKYOHHE-UHFFFAOYSA-N 451.317 3.564 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1cscc1Br 2180924871 ABVRVEAPQPSENY-LBPRGKRZSA-N 457.346 3.996 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 2294204841 JLWSSUKYVCSRAD-UHFFFAOYSA-N 486.597 3.762 10 10 JHCE COc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1O 2294216816 CHLQKTUNFMQUPS-UHFFFAOYSA-N 461.337 3.611 10 10 JHCE CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 2313557247 XZCOMHJCCLGCIP-UHFFFAOYSA-N 493.697 3.896 10 10 JHCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CC(=O)N2CCCCCC2)c2ccccc12 2313624343 QODFENXHVRCMHA-UHFFFAOYSA-N 476.577 3.838 10 10 JHCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nc2c(s1)CCCC2 2314488566 LEIRGDMIJNXWCT-UHFFFAOYSA-N 475.617 3.879 10 10 JHCE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2cccc(O)c2O)cc1 21659107 WUOWWXMRTZXAQW-QFIPXVFZSA-N 496.523 3.630 10 10 JHCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccc(OC)c(OC)c1 101665422 JLKQLEANTAKRDW-CPNJWEJPSA-N 467.518 3.636 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC[S@@](=O)C(C)(C)C)CC1 1540977345 BBLPLCFYTBEFDL-PGUFJCEWSA-N 496.681 3.568 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)cc4oc(=O)c(C)c(C)c34)CC2)cc1 1860275369 BUIOHSUFCOEOMP-IBGZPJMESA-N 450.535 3.843 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1 1862201081 DLSFFHMYEBPHPC-NRFANRHFSA-N 492.403 3.721 10 10 JHCE CC[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867307890 LNLLOPMZSPRMPT-ZEQRLZLVSA-N 496.652 3.622 10 10 JHCE CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870710835 FNXGTSQNRUPKIQ-UHFFFAOYSA-N 490.604 3.525 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871479503 WRWXRAWPIIKGGY-UHFFFAOYSA-N 491.640 3.908 10 10 JHCE CCN(CC)CCCCN1C(=O)C(NCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165062 AIARVFNGFBJSPO-UHFFFAOYSA-N 493.696 3.837 10 10 JHCE CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2180671975 ZGTQKCBBFACXJU-RXFWQSSRSA-N 472.582 3.723 10 10 JHCE CN(C)c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br 2294133904 LZOIGYOHNUOGGK-UHFFFAOYSA-N 493.155 3.944 10 10 JHCE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 2296538401 MSJCWXMHIKSMGU-UHFFFAOYSA-N 481.599 3.908 10 10 JHCE COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2296713535 HSQFOESKOHYSMY-UHFFFAOYSA-N 495.626 3.897 10 10 JHCE CCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2297497762 DRSYHCVONZFUMM-UHFFFAOYSA-N 494.598 3.955 10 10 JHCE COc1cc(C=C2SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC(C)=O 2297576964 FGFWSPLOMBTYOQ-UHFFFAOYSA-N 460.489 3.943 10 10 JHCE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(O)c1 2313561210 ZDDLBWJCIPQSRL-UHFFFAOYSA-N 458.312 3.667 10 10 JHCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2314541330 JWWMKMOYFYDONG-LBPRGKRZSA-N 471.343 3.783 10 10 JHCE CC[C@@H](Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1)C(=O)NCc1ccc(N(C)C)cc1 33125553 DNORHPYBVJUAHI-OAQYLSRUSA-N 454.958 3.734 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)NC[C@@H]1CCCO1 35132380 UBLHJULFIGQXEU-LUYJPIOASA-N 456.536 3.565 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3cccc(OC)c3OC)c3ccco3)CC2)cc1 38598182 QILSXKPAFCDPLT-JOCHJYFZSA-N 465.550 3.599 10 10 JHCE Cc1cc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)N=C2O)c(C)n1C[C@@H]1CCCO1 59109282 IUAYKTUUTVSKPQ-LTUPMRBCSA-N 451.479 3.515 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 1862150692 IOEDJZWGBLHNGK-IGKXFLDPSA-N 462.377 3.869 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014685 AEZBJZULQMEWPW-SJCJKPOMSA-N 488.466 3.912 10 10 JHCE COCCN1C(=O)C(NCCc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162277 NWKVWMYJXLAXSS-UHFFFAOYSA-N 461.537 3.792 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873165480 KTDUJSYWOORMGC-UHFFFAOYSA-N 491.680 3.591 10 10 JHCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2296663407 KRXPYMYTXNKEIY-LJQANCHMSA-N 481.624 3.928 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716179 FFOALXMQEAQQJL-CALCHBBNSA-N 486.663 3.805 10 10 JHCE Cc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 2297352664 KLJVJVHXRXKANV-UHFFFAOYSA-N 459.531 3.887 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 2314828385 SPUDZXNNZNDGSR-UHFFFAOYSA-N 454.451 3.957 10 10 JHCE CCOc1cc(C=C2C(=O)N(CC)N=C2c2ccc(OC)cc2)ccc1OCC(=O)N(CC)CC 2332139717 KLCLWRHBJKQYOL-UHFFFAOYSA-N 479.577 3.991 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)NCc4ccc(SC)cc4)n3)CC2)cc1 33309957 SWVIKPYTMGQRPG-UHFFFAOYSA-N 495.674 3.942 10 10 JHCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 33918536 NOLSEPWMJMXKKB-OBGWFSINSA-N 474.652 3.867 10 10 JHCE CCCCn1c(=S)[nH]c(O)c(C2=NN(C(C)=O)[C@@H](c3ccc(N(CC)CC)cc3)C2)c1=O 101456256 LYVTUESBDJZCOJ-LJQANCHMSA-N 457.600 3.955 10 10 JHCE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526602583 USXGAIGBAQWDPA-JOCHJYFZSA-N 493.443 3.867 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(-c4cccc(Cl)c4F)no3)cc2)CC1 1296399447 KFRCSKNYBPSFDJ-UHFFFAOYSA-N 456.905 3.733 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)cc2C)C1 1705960666 JKNSAAPRGLXOLA-LJQANCHMSA-N 482.032 3.721 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)cn3)CC2)cc1 1858429399 MNJUUNWSCGYIPK-UHFFFAOYSA-N 452.580 3.834 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H]2CCCO2)sc(C)c1-c1ccc(OCC)cc1 1860762665 NCABPJXKPCKALY-KRWDZBQOSA-N 460.552 3.533 10 10 JHCE CCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861996456 HTIJFMBGHVENHZ-SHQCIBLASA-N 492.664 3.541 10 10 JHCE CC[C@@](C)(NC(=O)/C=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862147465 VHBQCWOYCDDAPB-FFODHNNBSA-N 455.986 3.996 10 10 JHCE CC[C@](C)(NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862265470 ODQLAVHMSITEAS-MHZLTWQESA-N 460.578 3.733 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864021558 PTFIDRQHKAGCJD-JOCHJYFZSA-N 476.577 3.832 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865033348 XVFCAFDQOAJZBD-OPAMFIHVSA-N 474.561 3.942 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3C[C@H](C)O)CC2)cc1 1870484621 PCLKPRAEMWHJHA-NRFANRHFSA-N 469.626 3.519 10 10 JHCE CN(C)CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871027449 FKFMUSUMFGZNHH-UHFFFAOYSA-N 491.621 3.609 10 10 JHCE CCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871663146 TWVJWTHRGRHWNB-UHFFFAOYSA-N 453.978 3.766 10 10 JHCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3cccnc3)ncnc21 1875204049 WWKRBXYQNRPGPH-UHFFFAOYSA-N 485.592 3.819 10 10 JHCE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCC(C)C)ncnc21 1875219698 NFBPBBHITKYXRJ-UHFFFAOYSA-N 480.613 3.507 10 10 JHCE CNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2040498115 CMYIJWQZMBBYTP-UHFFFAOYSA-N 496.614 3.506 10 10 JHCE COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 2296566757 BTSQXFOZHSVEGV-UHFFFAOYSA-N 472.284 3.788 10 10 JHCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(CC(=O)N2CCCCCC2)c2ccccc12 2313623844 GDMFMNSQHAREIC-UHFFFAOYSA-N 484.556 3.706 10 10 JHCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314399628 AEZDMTGTKQBWJD-IYBDPMFKSA-N 484.647 3.760 10 10 JHCE COc1cc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314931683 HJUPRVLVUHTGLG-ZDUSSCGKSA-N 459.545 3.697 10 10 JHCE O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 27548719 AAKAENXSDQJSQC-GZTJUZNOSA-N 453.248 3.869 10 10 JHCE O=C(O)CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc32)SC1=S 33549639 BTEJBGNAOOHRKP-MSUUIHNZSA-N 462.911 3.682 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccco2)c(OS(=O)(=O)CC)c1 36008707 XCFVVBDCTGZALR-FQEVSTJZSA-N 464.584 3.676 10 10 JHCE CCCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619387 YABWCKYBRQAZGD-VWLOTQADSA-N 499.633 3.919 10 10 JHCE COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2Br)c1 89267728 HZWOXCFTXRDKAJ-HZWMVPBHSA-N 485.319 3.926 10 10 JHCE COc1cccc(O)c1CN1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C/C=C\c2ccccc2)CC1 207593556 FVERRYWMKMSHND-BUSVIJJDSA-N 475.633 3.861 10 10 JHCE COc1ccc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)c(C(=O)O)c1OC 210402494 HIWUFFIIGCMVHT-ZROIWOOFSA-N 461.477 3.539 10 10 JHCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526312427 SNGHDFDUFWLZNG-QHCPKHFHSA-N 496.541 3.591 10 10 JHCE Cc1ccccc1C(=O)C=c1sc(=Cc2ccc(N3CCOCC3)cc2)c(=O)n1Cc1ccccc1 730840837 LLKWMFRNSDXHJN-UHFFFAOYSA-N 496.632 3.595 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)N4CCCC[C@@H]4C)cc3)CC2)cc1 743303884 DVCLJVIFMZTEBU-NRFANRHFSA-N 479.625 3.654 10 10 JHCE CC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 917243012 LSCHNGZHHBODCV-HXUWFJFHSA-N 461.356 3.902 10 10 JHCE COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 1084632360 LLPQIDYTLJHJOD-SDQBBNPISA-N 453.651 3.917 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 1862141054 DYOTXRQHKJKJHY-WJXUGBSRSA-N 462.377 3.869 10 10 JHCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864020472 ZQTAWHLUOHQCHL-NRFANRHFSA-N 492.576 3.582 10 10 JHCE CCCC[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866849301 CFHIBDLQWCGNJL-JOCHJYFZSA-N 484.556 3.991 10 10 JHCE CCCN(CCC)c1cccc(C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868602894 MFDIFQPQXYMJMT-NDEPHWFRSA-N 495.668 3.964 10 10 JHCE CC(C)OC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870911630 YBMISJDUFAPWQL-UHFFFAOYSA-N 451.523 3.527 10 10 JHCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588414 DWKWZTYYCAFKNB-UHFFFAOYSA-N 486.624 3.878 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C 1952346872 OTRJVZCTFJVGAU-IRXDYDNUSA-N 450.532 3.502 10 10 JHCE CCOC(=O)c1sc(NC(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)nc1C 2040572467 BERABZGOJOWJDT-UHFFFAOYSA-N 461.590 3.858 10 10 JHCE COc1cc(C)ccc1OCCn1cccc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2293556291 MMMMSNJZWLXFMM-UHFFFAOYSA-N 463.465 3.690 10 10 JHCE COc1cc(C=C2C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OC(=O)c1ccco1 2297364156 CDSCYYQYOVMULR-UHFFFAOYSA-N 462.443 3.768 10 10 JHCE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C1CCCC1 2297508888 WCVVHKOBEZPPQZ-UHFFFAOYSA-N 469.607 3.758 10 10 JHCE CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccccc3)c3ccc(Br)cc23)C1=O 2313624475 VIIFDKWQKHQHFP-UHFFFAOYSA-N 482.334 3.965 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 2314827531 GZNCJVWLIBRJGU-UHFFFAOYSA-N 472.544 3.719 10 10 JHCE COc1cccc(C=CC(=O)NCCN2C(=O)C(=Cc3cccc(OC)c3)SC2=S)c1 2320656369 LEISRBDAIDBJPO-UHFFFAOYSA-N 454.573 3.735 10 10 JHCE Cc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2cccc3nonc23)cc1 8595575 AKUANFHNYYNBMY-UHFFFAOYSA-N 450.520 3.982 10 10 JHCE aggregator CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2S1 20208384 LJVINPPPMLMJBT-AQECLBTLSA-N 488.978 3.930 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)cc(I)c1O 34235049 XYYDLBDZJDBWKE-GHXNOFRVSA-N 478.242 3.821 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc(OC)c1O 34138445 BJOZHLNEJINALC-QPEQYQDCSA-N 461.268 3.987 10 10 JHCE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1 216584848 ZFSGZFIIXQKQEC-UHFFFAOYSA-N 452.419 3.843 10 10 JHCE COC1(OC)C(=O)c2ccc(-c3ccc(-c4ccc5c(c4)C(=O)C(OC)(OC)C5=O)s3)cc2C1=O 220270282 BGFPUQOMGLMBJI-UHFFFAOYSA-N 492.505 3.818 10 10 JHCE CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 1084589145 CTXZKEKCKSFOIX-XFXZXTDPSA-N 496.301 3.660 10 10 JHCE O=C1NC(=S)S/C1=C/c1ccc2ccc3ccc(/C=C4/SC(=S)NC4=O)nc3c2n1 3183168 QWKRISTZMDUFJG-FNCQTZNRSA-N 466.594 3.761 10 10 JHCE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)s4)n3)cc21 11858023 XSRJBDSZDDJLTO-UHFFFAOYSA-N 486.394 3.790 10 10 JHCE COc1cc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1OCC(=O)O 16915069 FOLNSIZQJOXMNA-VCHYOVAHSA-N 458.517 3.523 10 10 JHCE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 33812617 CMKXQDMBSQNUDU-QNGOZBTKSA-N 499.706 3.724 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 33528784 PWQOFCZGNZFDPE-UWCCDQBKSA-N 472.636 3.985 10 10 JHCE COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1Cl 1858074693 RDJKHFCEXDXKMK-NRFANRHFSA-N 452.020 3.920 10 10 JHCE CCOc1cc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1OC 1860713301 UHCZALAJZDITBN-UHFFFAOYSA-N 458.514 3.988 10 10 JHCE CCCC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862153189 MJBNAUUFJFXFJL-XCBPRYKJSA-N 493.604 3.503 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862209781 VQDNOMRCDHQEST-HYBUGGRVSA-N 497.661 3.836 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864014226 PRWDUKCDUWXYTQ-JOCHJYFZSA-N 476.577 3.976 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865035569 WZGOCFITYOPFMJ-OAQYLSRUSA-N 477.565 3.584 10 10 JHCE CC[C@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868937507 ZQIGTSFNSVMGIH-DEOSSOPVSA-N 465.594 3.519 10 10 JHCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccnc2)C1=O 1873170352 WJHMGGLYUGXIME-UHFFFAOYSA-N 458.562 3.785 10 10 JHCE Nc1ccc(CS(=O)(=O)Cc2ccc(-c3csc(CCn4ccccc4=O)n3)cc2)cc1 1857849724 GARLNMLIEHLFPE-UHFFFAOYSA-N 465.600 3.912 10 10 JHCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C(=O)O)c1I 2079852830 BEHYONRCWNOFQB-SECBINFHSA-N 470.185 3.918 10 10 JHCE C[C@@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1cc(O)ccc1O 2084896244 FXPMWZNIWUKASZ-OAHLLOKOSA-N 453.580 3.947 10 10 JHCE Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(O)c(Cl)c2)C(=O)NC1=S 2297332458 KHOHKBIVOSUQTO-UHFFFAOYSA-N 451.729 3.948 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2297349384 XPZHHGLYXZYISC-UHFFFAOYSA-N 471.516 3.944 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(OC)c1 2313541506 MAGJLUMPWQIYID-UHFFFAOYSA-N 479.470 3.703 10 10 JHCE O=C1C(=Cc2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2314413572 BBQGITRRYLRPDH-INIZCTEOSA-N 470.620 3.819 10 10 JHCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCCO)nc3ccccn3c2=O)SC1=S 2314414820 NMPGELWVUAQIIT-HNNXBMFYSA-N 460.625 3.516 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314935173 NCYSZBCSOWEPBO-INIZCTEOSA-N 486.571 3.874 10 10 JHCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccccc1NC(=O)C(F)(F)F 16450226 GMIKPAAFBVSOLQ-FMIVXFBMSA-N 468.844 3.585 10 10 JHCE CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccc(CC)cc3)SC2=S)CC1 35393725 FRPGSJNEPHVJDG-KNTRCKAVSA-N 475.636 3.531 10 10 JHCE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(N2CCC[C@@H](C)C2)n(C)c(=O)c1C#N 39989553 ZLPARZBDGHUSQB-AXLWCPOOSA-N 456.637 3.946 10 10 JHCE CCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc21 40846665 QSKRYNKRXIAXQP-ZCXUNETKSA-N 452.561 3.535 10 10 JHCE CN(C)c1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2C(=O)CSC2=O)cc1 72413156 JTWOVXBIUWHZNJ-LJQANCHMSA-N 456.955 3.779 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3csc(-c4ccc(F)c(F)c4)n3)cc2)CC1 1296399779 MJFVWAKSHXHUNL-UHFFFAOYSA-N 456.518 3.687 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CC2)cc1 1858133520 RIIADQCQZCWQRY-DEOSSOPVSA-N 478.593 3.961 10 10 JHCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CCCOc3ccccc3)c3ccccc32)SC1=S 1860826325 DJOOTBRITXDGLY-VXPUYCOJSA-N 468.556 3.548 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCOc3c(C)cccc3C)CC2)cc1 1862210981 YPQCSDTZGVFKER-UHFFFAOYSA-N 467.610 3.715 10 10 JHCE COc1ccc(N2CCN(C(=O)CCCN3C(=O)C(C)(C)Oc4ccc(C)cc43)CC2)cc1 1865765722 KBYAOZAGRXHILN-UHFFFAOYSA-N 451.567 3.637 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 1868824777 GDTQEMPNRQMEPL-SGNDLWITSA-N 485.625 3.525 10 10 JHCE CCCCOc1cn(CCCn2ccnc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870665476 WWHVSUSVCCHDBM-UHFFFAOYSA-N 479.625 3.645 10 10 JHCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871676595 DIKODAXITOAZLG-UHFFFAOYSA-N 498.031 3.668 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccc(C)cc3)CC2)cc1 1892030711 WQOFMOPOVNEGHG-MHZLTWQESA-N 469.585 3.920 10 10 JHCE Cc1c(N2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)c(=O)n(-c2ccccc2)n1C 2297243978 VIFGGFYHMDSOOJ-UHFFFAOYSA-N 451.529 3.619 10 10 JHCE CS(=O)(=O)Oc1ccc(C=C2C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)cc1 2297630490 IDCPLPMUSMFTIA-UHFFFAOYSA-N 484.603 3.861 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NC[C@H]3CCCO3)nc12 2297735014 JYHMQVDJADBLFC-OAHLLOKOSA-N 482.587 3.588 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3cccc(OC)c3OC)c3ccco3)CC2)cc1 38620082 ALESTICHOPKNHL-QFIPXVFZSA-N 480.565 3.990 10 10 JHCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1Cc1ccccc1 96460973 YZTHOFDZZJMNTK-ODXNEQJUSA-N 469.592 3.553 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S 102841646 VZMSYMLSQLLWKG-SAPNQHFASA-N 458.609 3.677 10 10 JHCE COC(=O)c1c(N/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)sc2c1CCCC2 103748744 DBDVFNJYOFBAMO-WJDWOHSUSA-N 469.588 3.774 10 10 JHCE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(CC)CC)cc2)CC1 1705647845 MVQFUUIQFWGBKT-UHFFFAOYSA-N 485.636 3.509 10 10 JHCE C=C(C)CN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCS(=O)(=O)N(C)C 1705711100 AQZTWJUMSMUEGH-UHFFFAOYSA-N 470.643 3.646 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864009158 AYMOJUCCMRYPGG-HSZRJFAPSA-N 476.577 3.846 10 10 JHCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864010890 QITWFXZOFQAJBZ-NRFANRHFSA-N 460.534 3.518 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033540 BXLUMXCEMYLRMM-BFQNTYOBSA-N 480.487 3.532 10 10 JHCE Nc1ccc(Cc2ccc(NC(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 1866023977 LDHVRIFCZLLCDJ-UHFFFAOYSA-N 458.474 3.783 10 10 JHCE CCOC(=O)c1nn(Cc2c(O)cccc2F)c(C(F)(F)F)c1I 2079251115 ORIVBEMRHNQADV-UHFFFAOYSA-N 458.149 3.576 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1 2294094845 AAMMTYOVTRIBMI-UHFFFAOYSA-N 466.833 3.973 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2294229398 QFUQSGPPIDPSAE-UHFFFAOYSA-N 476.485 3.934 10 10 JHCE Cc1ccccc1N1C(=O)C(=Cc2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)NC1=S 2313548438 HJRSODCIGKINOK-UHFFFAOYSA-N 461.503 3.537 10 10 JHCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12 2313683218 UUARZOPGIHVVNG-UHFFFAOYSA-N 464.497 3.688 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 2314764864 OBVHIGYBAVTFDK-UHFFFAOYSA-N 465.896 3.509 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCC(=O)O)cc3)SC2=S)cc1OC 2314928844 CMFCYCBSRWPCHK-UHFFFAOYSA-N 459.545 3.611 10 10 JHCE CN(C(=O)CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)c1ccccc1C(=O)O 2314936325 XKDQEFVDDVBXNB-UHFFFAOYSA-N 478.498 3.850 10 10 JHCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2O[C@H]3c2cccc(O)c2O)cc1 15858924 ITUPLJSZKRIPPF-SANMLTNESA-N 481.508 3.896 10 10 JHCE N=C1/C(=C\c2cccn2CCOc2ccc(Cl)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 20356379 QUTZCHMVAMUQIF-SKEZEETHSA-N 468.970 3.893 10 10 JHCE O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=S)N=C2O)c2ccccc21)N1CCCCC1 33458331 OFSVWFUAKVSEPA-DEDYPNTBSA-N 476.558 3.914 10 10 JHCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 33922022 HWENAFYXPGFNEV-ZMIGGIFCSA-N 489.641 3.988 10 10 JHCE CCN(CC)c1ccc(CN(CCOC)C(=O)Nc2ccccc2OC)c(OS(=O)(=O)CC)c1 36009275 XTULJJSMUJLGJM-UHFFFAOYSA-N 493.626 3.950 10 10 JHCE CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 65314168 DVOGUDZOTSZRBY-DEOSSOPVSA-N 473.621 3.671 10 10 JHCE Cc1cc(C(=O)NCc2cccnc2-n2cncn2)c(C)n1-c1cccc(Br)c1 108603336 FWIXUYKFOIAVDG-UHFFFAOYSA-N 451.328 3.762 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)c(Br)o1 1084650433 KRSZPAMUKKMFED-YVMONPNESA-N 474.105 3.775 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(-c4cc(OC)ccc4OC)n4ccccc34)CC2)cc1 1858347406 FGXTTYPUYNIXJN-UHFFFAOYSA-N 472.545 3.990 10 10 JHCE CCc1ccc(S(=O)(=O)NC(=S)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858607519 OIITXUDIZHZCQN-UHFFFAOYSA-N 450.541 3.700 10 10 JHCE Cc1csc2nc(Cl)c(CNCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n12 1860717110 UNBHOWMBWSELQQ-UHFFFAOYSA-N 464.934 3.861 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864011367 SUFABTPNCCXSIY-QHCPKHFHSA-N 470.529 3.966 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864013840 HFQPLMQTWRSFGS-JOCHJYFZSA-N 476.577 3.914 10 10 JHCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864018757 CBKXSAGSFJGPOK-QHCPKHFHSA-N 496.567 3.994 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864021585 DALRMSIMJXNSRC-HNNXBMFYSA-N 468.476 3.724 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865026866 BUCBHYIFVNHIDW-UAVUOLJFSA-N 488.588 3.850 10 10 JHCE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)C)n2)C1 1867950665 GWIQBRPBIPQUPE-HXUWFJFHSA-N 467.614 3.715 10 10 JHCE CC[C@@](C)(NC(=O)c1sc(C)nc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868975649 JHQOPDPPZTXBCI-XMMPIXPASA-N 458.628 3.831 10 10 JHCE CCCCOc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870660495 BISGGNCBKJDWFK-XMMPIXPASA-N 455.599 3.537 10 10 JHCE CCOC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871148875 ZLBTYGZJBVEGCN-SFHVURJKSA-N 451.523 3.527 10 10 JHCE CC(C)(C)OC(=O)NCCCN(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 2201006576 PTUHSTWUJOTACV-UXHICEINSA-N 475.586 3.519 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 2296709101 WOUUZRXBVIKZNT-UHFFFAOYSA-N 494.598 3.953 10 10 JHCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2296737769 MYSFWULYBYQNFF-UHFFFAOYSA-N 489.487 3.952 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OCC)c3)C2=O)cc1 2313518713 PILODMPHOUIWNK-UHFFFAOYSA-N 475.295 3.619 10 10 JHCE COc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4Sc4ncccc43)CC2)cc1 15677998 DLIAEHYMSDSWGM-UHFFFAOYSA-N 460.559 3.550 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 16915104 MHLFFNHWRYQXNS-XDHOZWIPSA-N 459.545 3.611 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc(OC)c1OC 33316867 AVHUCFLYXMYETH-AUWJEWJLSA-N 461.268 3.982 10 10 JHCE CCOc1c(Br)cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC 33406176 RMKSTCWSKQVCOQ-VGOFMYFVSA-N 451.704 3.971 10 10 JHCE Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c1C 46882348 ZJTJVCHEJGUFGU-RUZDIDTESA-N 460.490 3.961 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(Br)c(Br)c1O 72111250 LMNXQDKRQCXSLB-YWEYNIOJSA-N 497.186 3.602 10 10 JHCE CC(C)N(CC(=O)NCc1ccc(N(C)C)cc1)CC(=O)Nc1ccccc1C(F)(F)F 778333563 BUOGGRDAVWYSDF-UHFFFAOYSA-N 450.505 3.737 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 1084400644 HNPCLSUVYDOQQC-XMMPIXPASA-N 493.604 3.784 10 10 JHCE COC(=O)c1ccc(Cl)c(NC(=O)CNCc2cc(Cl)cc(Br)c2O)c1 1860721318 NYGKOSZPOUWMGG-UHFFFAOYSA-N 462.127 3.976 10 10 JHCE CCOc1ccc(/C=C/C(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862158783 MKDRYRKSRBPCRH-FFFSVGICSA-N 465.594 3.741 10 10 JHCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(OCC(=O)N2CCCC2)c([N+](=O)[O-])c1 1865783686 ZBDNBTVCYLYAEH-UHFFFAOYSA-N 499.479 3.624 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3c(Br)cccc3c2=O)c2nccn2C)cc1 1866457107 IUQYKAAWGNDYQF-LJQANCHMSA-N 480.366 3.610 10 10 JHCE CC(C)(C)OC(=O)NCC1(NC(=O)CCc2ccc(N)cc2)CCN(Cc2ccccc2)CC1 2187399377 ROXWNCLUMXAPNL-UHFFFAOYSA-N 466.626 3.877 10 10 JHCE CCCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33459346 LJTLJBBZVHQVRT-QJISPJEISA-N 458.609 3.595 10 10 JHCE COc1cc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)C(O)=NC2=S)cc(OC)c1OC 38176041 BEZUHQBYWJRHQC-WUXMJOGZSA-N 493.335 3.852 10 10 JHCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 208735338 OIRSCILWJJECKB-JLPGSUDCSA-N 488.519 3.736 10 10 JHCE COc1cc(/C=C2/SC(N)=NC2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 210901574 VYDPQESLYCCHEN-LZYBPNLTSA-N 451.426 3.661 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(Oc4cccc(F)c4)nc3)CC2)cc1 726245817 BIBDZSKCOGQHHG-UHFFFAOYSA-N 479.556 3.643 10 10 JHCE C[C@H](NC(=O)Cc1ccc(Br)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858767950 DURRDKDOIIGVAH-LBPRGKRZSA-N 497.370 3.972 10 10 JHCE O=C(COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)NC1CCCC1 1858841797 LUPWBLWTNNOZAV-UHFFFAOYSA-N 484.512 3.939 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)COc3ccc(OC)cc3C(C)(C)C)CC2)cc1 1862169589 BWOQCOFJJGULQB-UHFFFAOYSA-N 497.636 3.624 10 10 JHCE COc1ccc([C@H](C2CCC2)n2nc(C(F)F)c(C(N)=O)c2I)c(O)c1 2079860012 DCRMXDZKWUNVLE-AWEZNQCLSA-N 477.249 3.628 10 10 JHCE O=C1[C@@H]2[C@H](C=Cc3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 2293880500 YRZXQCGDZQBCQW-ZRBLBEILSA-N 467.452 3.862 10 10 JHCE Cc1nnc(NC(=O)CCN2C(=O)C(=Cc3cccc(Br)c3)SC2=S)s1 2297307223 DQZAMOHQUPIHHA-UHFFFAOYSA-N 469.411 3.839 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1 2297352687 LTXLFCZPQBJLBL-UHFFFAOYSA-N 491.573 3.573 10 10 JHCE O=C1/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 1146556 YANGOEUBGSIDGO-KETZHDHUSA-N 492.626 3.729 10 10 JHCE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)cs2)cc1C 11857957 DNCNEKKDDGLDAR-UHFFFAOYSA-N 473.576 3.982 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc(Cl)c1OCC(=O)O 33323394 AETNDOWLBPFKLN-CHHVJCJISA-N 458.854 3.936 10 10 JHCE O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccc(F)cc1 105629207 UGJYPFRFWADWBH-FKBYEOEOSA-N 455.441 3.516 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2cccc(C)c2C)[C@H]2CCS(=O)(=O)C2)cc1 256037584 GDZPOGZOARJUGY-LOSJGSFVSA-N 474.667 3.579 10 10 JHCE CN(C)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(Cl)cc1 586216496 ZAGFYCQBRWOCHI-UHFFFAOYSA-N 468.962 3.872 10 10 JHCE CCOc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1 1084346773 CTKVYVWYYYIQRT-DHDCSXOGSA-N 459.296 3.518 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4nc5ccccc5[nH]4)c4ccccc34)[C@H]21 1860347591 ZWUFSLRKVVIWNG-NDEPHWFRSA-N 490.567 3.981 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)c1 1860878214 KBPJIGAIGXAYIB-UHFFFAOYSA-N 478.618 3.511 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864009441 HLLGMSKAHXWAFA-QHCPKHFHSA-N 476.577 3.702 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864017714 SJJFWYSVPUURLJ-JLTOFOAXSA-N 478.549 3.599 10 10 JHCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864020473 ZQTAWHLUOHQCHL-OAQYLSRUSA-N 492.576 3.582 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3ccc(C(F)(F)F)cc3[nH]2)c2nccn2C)cc1 1866536859 DXFQZJIKHAJMFF-OAQYLSRUSA-N 469.467 3.866 10 10 JHCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2[C@@H](C)COC[C@H]2C)n1 1868254723 ZCVJOBBYVNOSCK-CALCHBBNSA-N 472.545 3.798 10 10 JHCE CC[C@@](C)(NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868937087 OOPCMLQIGZLTOV-MUUNZHRXSA-N 479.621 3.909 10 10 JHCE CCOC(=O)CCOc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870878514 SKWGGADHGJERMA-LJQANCHMSA-N 465.550 3.917 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5ccc(C)cc5)ncnc4n3C)CC2)cc1 1875195726 RAAUCNDPUJGHEQ-UHFFFAOYSA-N 484.604 3.902 10 10 JHCE CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2296710602 BXSXNURQYNLSER-UHFFFAOYSA-N 451.573 3.880 10 10 JHCE CC(C)NC(=O)CCn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326954739 NMRYEGPROUKOMB-UHFFFAOYSA-N 459.593 3.622 10 10 JHCE COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccc4c(c3)CCCN4C)CC2)C1=O 14535646 PWTSATSNWWBLCS-UHFFFAOYSA-N 490.648 3.557 10 10 JHCE Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 39983459 ABYUDODOOZQURD-DJKKODMXSA-N 494.598 3.953 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@@H](NC(C)=O)CCO4)cs2)c1 170549528 KLTHIKWLAMVBLT-KRWDZBQOSA-N 489.575 3.588 10 10 JHCE CN(C)c1ccc([C@@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526312949 NAMPBWWJFHHQEW-JOCHJYFZSA-N 467.522 3.596 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)CC2)cc1 729346871 FEKRTUVCJSQWHT-UHFFFAOYSA-N 472.589 3.524 10 10 JHCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007065 FIMBCWOCWKURCE-QHCPKHFHSA-N 492.576 3.992 10 10 JHCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864019329 IVQFQLLFVNYHGS-IQMFZBJNSA-N 488.588 3.845 10 10 JHCE CCc1cccc(C)c1N1C[C@@H](C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865922185 IOKXYRLMGFLDMX-URXFXBBRSA-N 459.594 3.616 10 10 JHCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H](C(=O)OCC)C2)n1 1867974854 AQBORNUMCALLNM-FQEVSTJZSA-N 467.614 3.544 10 10 JHCE CCC[C@@H](NC(=O)CCCc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868951772 PNPVEDXVNKRQML-RUZDIDTESA-N 451.611 3.960 10 10 JHCE COC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870872738 UZVLIOTUMRYYHP-UHFFFAOYSA-N 473.533 3.722 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(C)c3)n4C)CC2)cc1 1873650758 URGNTKQYHHELDP-UHFFFAOYSA-N 456.550 3.864 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(=O)n5cc(C)ccc5nc4n3CC(C)C)CC2)cc1 1875238999 OKVWEAYVWCSSLY-UHFFFAOYSA-N 473.577 3.585 10 10 JHCE O=C(C[C@H](CO)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccc(Cl)cc1 1887522955 QYSQXVAEFPWMEM-GOSISDBHSA-N 457.880 3.750 10 10 JHCE CC(C)(C)OC(=O)N[C@@]1(c2cc(Br)cc(Br)c2O)C[C@H]1C(=O)O 1952774436 HMCCMMXCOSGLSX-BJOHPYRUSA-N 451.111 3.742 10 10 JHCE COc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(OC)c1 2296717921 MFGZKWPRLPLMPI-UHFFFAOYSA-N 467.572 3.907 10 10 JHCE COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 2297341079 RLHYPIZQQNBSDD-UHFFFAOYSA-N 482.543 3.863 10 10 JHCE CCCCOc1cccc(C(=O)NC(=S)Nc2cc(OC)c(OC)cc2N2CCOCC2)c1 20496608 UFSWLXSVMGMDPY-UHFFFAOYSA-N 473.595 3.846 10 10 JHCE CC(=O)N[C@H](Oc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 33709662 IGIPRIFDZBDJTD-INDWDQIESA-N 497.809 3.574 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3ccc(OC)cc3OC)c3ccco3)CC2)cc1 38620088 CWAFYKSGZHPDSD-QHCPKHFHSA-N 480.565 3.990 10 10 JHCE CCOC(=O)CCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 206838714 UNSMREMSGAINKN-FMQUCBEESA-N 452.557 3.758 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1O 210718747 PXQRVYMECVHURN-LDADJPATSA-N 474.560 3.735 10 10 JHCE O=C(OCc1ccccc1)N1CCO[C@H](CNCc2cc(Cl)cc(Br)c2O)C1 708111017 LOOPPEZVIBPCDZ-QGZVFWFLSA-N 469.763 3.935 10 10 JHCE Cc1nc(CC(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)co1 1867225868 CFZLPPTTXVVRPO-RUZDIDTESA-N 479.492 3.797 10 10 JHCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873165942 XMWZOVDLSGKVKO-UHFFFAOYSA-N 478.637 3.676 10 10 JHCE CC(=O)NCCN1C(=O)C(NCc2cc(C)ccc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169250 HAHKPNUQDOMOAM-UHFFFAOYSA-N 484.600 3.717 10 10 JHCE COC(=O)c1cc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc(C(=O)OC)c1 1874010672 VEEAVWOOEMHVRR-UHFFFAOYSA-N 482.448 3.540 10 10 JHCE O=C(C=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCc1ccc(-c2nc3ncccc3o2)cc1 2313785412 KUMNUUDTFXTHJV-UHFFFAOYSA-N 485.500 3.964 10 10 JHCE NS(=O)(=O)c1ccc(CN2C(=O)C(=Cc3ccc(Br)cc3F)SC2=S)cc1 2323686656 ZRJWXHMFYYAELW-UHFFFAOYSA-N 487.397 3.637 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 20207713 HQEJXAGAIZSVMT-ODJOWLHGSA-N 477.571 3.869 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1)C(=O)c1ccccc1F 35960323 JDBRFBSYMCRORP-VWLOTQADSA-N 476.552 3.939 10 10 JHCE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066701 QYOSCGNEUVKXLE-UYRXBGFRSA-N 452.605 3.924 10 10 JHCE CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCCSc2nccs2)[C@H](C)C1 1301749553 OKIORSVZNSJWFM-OAHLLOKOSA-N 462.670 3.626 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 1861946251 JWTDXICLWNDMMF-APYIBEOOSA-N 453.970 3.702 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3c[nH]c4ccccc34)c3ccccc3)CC2)cc1 1862072402 JPQOFNXEFRKQIB-MUUNZHRXSA-N 482.584 3.925 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cccc(OCC(C)C)c3)CC2)cc1 1862256162 WQROBPXZZDJREU-UHFFFAOYSA-N 453.583 3.587 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015561 CECKFWFTDRLZLG-QFIPXVFZSA-N 482.540 3.840 10 10 JHCE CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867394040 KTOXAVNZLKMRQA-FTJBHMTQSA-N 496.652 3.622 10 10 JHCE CC[C@](C)(NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868726235 GBBPGIDQUXIUPJ-NDEPHWFRSA-N 497.636 3.669 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(C)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970327 ITZRFLYBTDWGHB-UHFFFAOYSA-N 462.598 3.858 10 10 JHCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCCn2ccnc2)cc1OCCO 1870792662 CYSTWWVUQCRTRY-UHFFFAOYSA-N 459.550 3.862 10 10 JHCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCCCCC3)ncnc21 1873545450 BJPZRIGBGJNLST-UHFFFAOYSA-N 462.598 3.803 10 10 JHCE COC(=O)c1ccc(NC(=O)CCN2C(=O)SC(=Cc3ccc(N(C)C)cc3)C2=O)cc1 2040482819 ZPQWBQFZQSHVRP-UHFFFAOYSA-N 453.520 3.604 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC3CCCC3)nc12 2296730248 MJNZTQBZEPXGNV-INIZCTEOSA-N 470.620 3.738 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2ccc(O)c(C(=O)O)c2)C1=O 2296885169 GWKUCQJBCPKYEM-UHFFFAOYSA-N 454.529 3.877 10 10 JHCE CCOc1cc(Br)c(Br)c(C=C2SC(=S)N(CC(=O)O)C2=O)c1O 2297186829 CHFHYYRRCCCICH-UHFFFAOYSA-N 497.186 3.602 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(Cl)s3)c3ccco3)CC2)cc1 38619235 SPORBSXIEJEVAU-SFHVURJKSA-N 482.027 3.845 10 10 JHCE COc1cccc(/C=C/C(=O)NCCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)c1 62060538 LEISRBDAIDBJPO-IJUUUJHDSA-N 454.573 3.735 10 10 JHCE CCC[C@H](NC(=O)c1cc(Cl)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862138291 KCQNBHRFXANVSF-NRFANRHFSA-N 459.974 3.605 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012701 HBGYPYAIKKZVHP-QHCPKHFHSA-N 497.555 3.642 10 10 JHCE COC(=O)c1c(NC(=O)CCN2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)cc1 1866244645 RIVWIWDZXBUXFX-UHFFFAOYSA-N 463.515 3.838 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3sc(C)nc3C(C)C)C(C)C)CC2)cc1 1868970716 MINQDDDFLKPATJ-OAQYLSRUSA-N 458.628 3.687 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314836612 HMAAWKUHYGMQAH-ZDUSSCGKSA-N 485.543 4.000 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 2314933789 DJXUIURPJJRYJZ-UHFFFAOYSA-N 481.458 3.742 10 10 JHCE Cc1ccc(CN(C)[C@@]2(C(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)c(O)c1Br 2380767659 WXMUCEGQGSJYSU-JTSKRJEESA-N 477.355 3.807 10 10 JHCE CCN(CC)c1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c(=O)n1CC 33478143 PXUYREJASYSRTL-WOJGMQOQSA-N 456.593 3.889 10 10 JHCE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 35643866 IBAOSWWDOOWEHB-LTGZKZEYSA-N 454.617 3.998 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)CCCOc3ccccc3)C2=O)c1 62050038 VMZPZTZRRSFQFA-CAPFRKAQSA-N 456.589 3.872 10 10 JHCE CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 72413056 AXUXCFJHSMMADO-XMMPIXPASA-N 452.514 3.660 10 10 JHCE CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(Cc4ccncc4)CCC(=O)NCC3)cc2)CC1 257183305 RHEKQEQFLDKTEH-SANMLTNESA-N 491.680 3.743 10 10 JHCE CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCCSc2nccs2)[C@@H](C)C1 1596245424 NHGFKKUUMKTQAR-SFHVURJKSA-N 470.668 3.759 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)sc(C)c1C 1860740603 SYMNXZUGZVEERI-UHFFFAOYSA-N 476.510 3.894 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)/C=C/c3ccc(C)cc3)CC2)cc1 1861944054 WJJWDTSFHBDWFB-PXRHPAFUSA-N 467.635 3.604 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013613 DLHPESWLLMUGFN-HSZRJFAPSA-N 490.604 3.956 10 10 JHCE CC[C@H](NC(=O)[C@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868846251 SAQLGQLVTYFGCC-DQEYMECFSA-N 451.611 3.987 10 10 JHCE COCCN1C(=O)C(NCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168761 IRBFPUMFRNPLFV-UHFFFAOYSA-N 489.572 3.627 10 10 JHCE Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179379 AZYLLTGKRHJXCF-QGZVFWFLSA-N 456.498 3.672 10 10 JHCE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NCc2cc(Cl)cc(Br)c2O)CC1 1921743296 RIAPOCKVJYKVMN-BLLLJJGKSA-N 463.800 3.906 10 10 JHCE CCC1=NN2C(=N)C(=Cc3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C(=O)N=C2S1 2293641201 AWHJXMWWXHQJBL-UHFFFAOYSA-N 454.533 3.792 10 10 JHCE CCOC(=O)CCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314761489 UNSMREMSGAINKN-UHFFFAOYSA-N 452.557 3.758 10 10 JHCE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CO)cc1Br 2364352431 ZPKMLCYQFKKGRH-UHFFFAOYSA-N 467.987 3.836 10 10 JHCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccc(O)c(O)c2)cc1 21659010 GPQHSCFNLQLUHL-QHCPKHFHSA-N 480.524 3.929 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(C)c(F)c4)n3)CC2)cc1 33309938 WYCYGEHJYDRCSZ-UHFFFAOYSA-N 467.570 3.990 10 10 JHCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NC[C@@H]4CCCO4)[C@H]3C2)cc1 245280343 NHKQAOAIELCKGW-WPFOTENUSA-N 489.538 3.877 10 10 JHCE C[C@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)O 1083920167 YEERQVTTZBTHPA-WULZRQGASA-N 465.314 3.677 10 10 JHCE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 1596150015 NRRNPSGULGSUED-HXUWFJFHSA-N 452.647 3.917 10 10 JHCE CC[C@@](C)(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861917557 UWBDYCIKDYXVIW-HSZRJFAPSA-N 474.945 3.504 10 10 JHCE CC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862232665 XDPOYKMDELVORQ-QHCPKHFHSA-N 474.001 3.751 10 10 JHCE CC[C@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862258034 STBIDGFIWGDEIH-DEOSSOPVSA-N 453.583 3.587 10 10 JHCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864013219 SZVRYGHUJACUEU-KYFARGGSSA-N 478.593 3.563 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4CCO)nc(C(C)(C)C)n3)CC2)cc1 1867969099 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COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(F)cccc6[C@H]5C4)nc(C)n3)CC2)cc1 1869299544 DNOZXRFAYBQUFB-AREMUKBSSA-N 488.611 3.679 10 10 JHCE CC(C)OC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870909305 BNCSPRXOKPMNNW-LJQANCHMSA-N 465.550 3.915 10 10 JHCE C[C@H](C(=O)O)N1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2293308664 RZHZCDAPUAIOOC-LLVKDONJSA-N 458.948 3.931 10 10 JHCE CN(C)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 2313559574 DUQRJSXOKQWWOB-UHFFFAOYSA-N 493.155 3.944 10 10 JHCE CCOc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OCC 59861542 IHMYJWUYIHVGGO-ATVHPVEESA-N 487.350 3.951 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)OC(C)C 101573802 HLIJPQJIODETAN-GRSHGNNSSA-N 452.463 3.530 10 10 JHCE Cc1cc(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 110410656 GBBCROBALKMHQK-WOJBJXKFSA-N 467.610 3.827 10 10 JHCE CC[C@H](C)N1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 228970250 OHTUEZHHJSLYBA-DMCUMKSNSA-N 480.615 3.840 10 10 JHCE O=C(CCn1nnc2ccccc2c1=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 247958318 OVCOFIGHQPTHKC-AREMUKBSSA-N 450.498 3.946 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018512 MSRBJWRVTFFJDR-JOCHJYFZSA-N 492.551 3.798 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873164013 IDVRJBQZLSECBV-UHFFFAOYSA-N 469.545 3.844 10 10 JHCE CN1CCc2cc([C@@H](O)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1917177952 TVNQIMQKIWOQTA-LOSJGSFVSA-N 458.514 3.704 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 2297346443 DRYQNBFXUTZFIW-UHFFFAOYSA-N 475.983 3.759 10 10 JHCE CCC(=O)NCCc1c(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[nH]c2ccccc12 2297638884 CBDHYGSFYWRVRK-UHFFFAOYSA-N 458.518 3.520 10 10 JHCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c1O 14460023 ALYBGVKIDFUDIF-SEYDDUDXSA-N 456.564 3.685 10 10 JHCE CN1CCCc2cc([C@H](CNC(=O)c3cccc(Br)c3)N3CCOCC3)ccc21 21886936 JCAWBIGPASRYHA-QFIPXVFZSA-N 458.400 3.635 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)cc2C)C1 1705960665 JKNSAAPRGLXOLA-IBGZPJMESA-N 482.032 3.721 10 10 JHCE CC(=C/c1ccccc1)/C=C1\SC(=S)N([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 1772759491 ZHCNOHDHNCHVFK-MJDDCBMWSA-N 487.628 3.509 10 10 JHCE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccc(C)cc4C(=O)O)cc3C2=O)cc1 1859472905 ZRUILRNUKYRHEL-UHFFFAOYSA-N 458.470 3.793 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NC2CCN(C(=O)OCC)CC2)sc(C)c1-c1ccccc1 1860759801 ICFIMBOTLXEIBJ-UHFFFAOYSA-N 487.578 3.576 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865028895 ANNSMCCSOVDXEN-QFIPXVFZSA-N 462.550 3.612 10 10 JHCE Nc1c(I)nn(Cc2cc(C(F)(F)F)ccc2O)c1C(F)(F)F 2079176118 CKCZCZRAGSOCOH-UHFFFAOYSA-N 451.108 3.861 10 10 JHCE CCN1C(=O)C(=Cc2cn(CC(=O)O)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S 2294276923 ZMLJSOXZQYDWQO-UHFFFAOYSA-N 467.934 3.943 10 10 JHCE CN(C)CCOC(=O)CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2297331988 HDTFEPDSMOYDQR-UHFFFAOYSA-N 457.415 3.535 10 10 JHCE COCCNC(=O)Cn1cc(C=C2C(=O)Nc3ccccc32)c2cc(Br)ccc21 2297576955 DAZZILUPDOLEGE-UHFFFAOYSA-N 454.324 3.659 10 10 JHCE CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 20356688 CSNFFHDOQLRDOC-JNCKMBBWSA-N 462.579 3.565 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c(Sc3ccccc3)nc12 33450932 QFNASYWQWCPALD-FOWTUZBSSA-N 483.596 3.830 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4noc(C5CCCC5)n4)cs3)CC2)cc1 35557569 VGJDLKUDKHXCOX-UHFFFAOYSA-N 474.608 3.975 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)N4CCC(C)CC4)cc3C)CC2)cc1 743303882 DQEAHRIFKJZANL-UHFFFAOYSA-N 493.652 3.819 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)cc2)CC1 1567591922 NYISBIHMOJHFLW-UHFFFAOYSA-N 456.546 3.537 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@@H]2c1ccc(O)c(O)c1 1864009264 DCPWDCOTDPXQEJ-JOCHJYFZSA-N 492.576 3.811 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864014896 FSSMSXTXNVMRGI-HNNXBMFYSA-N 494.857 3.786 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864019365 JNMHGDDVLRCJBY-HXUWFJFHSA-N 482.968 3.779 10 10 JHCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865027505 IKKJJFCHNIEOMR-OAQYLSRUSA-N 480.952 3.952 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865033664 FTIBYYBXLILZBU-INIZCTEOSA-N 480.487 3.819 10 10 JHCE COc1ccc(N2CCN(c3cc(N(C)CCO)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867982452 PJKGXSFOUQKKST-UHFFFAOYSA-N 453.974 3.561 10 10 JHCE CN(CCOCCNC(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2106713544 VXLGDNGZEBNSFW-UHFFFAOYSA-N 464.607 3.540 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1sc2c(c1C(=O)O)CCC2 2180220881 IUPYGBWFRDWMRJ-INIZCTEOSA-N 488.562 3.900 10 10 JHCE COc1ccc(N2N=C(C)C(=C(C)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)C2=O)cc1 2313681706 LJDZPXRPFKGAQK-UHFFFAOYSA-N 492.561 3.703 10 10 JHCE O=C1/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 102481443 RQMOQQNXOQFKBS-XPFMCRKWSA-N 492.626 3.984 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C/c3cccc(OCC(=O)O)c3)SC2=S)cc1OC 210427483 YHFOUJPUXKQNEC-UNOMPAQXSA-N 459.545 3.611 10 10 JHCE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526285819 CWJXBGTVEYYWHV-QFIPXVFZSA-N 493.443 3.867 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N(C)Cc3ccccc3C(F)(F)F)CC2)cc1 742947273 AKEPBKHDIWKYTP-UHFFFAOYSA-N 450.505 3.678 10 10 JHCE C#CCNC(=O)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)OC)CC1 1705644934 GWKVOEDKVYFVEM-UHFFFAOYSA-N 488.636 3.743 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3cccc4ccccc34)CC2)cc1 1862240301 VMNVZRYXIFUSON-XMMPIXPASA-N 461.587 3.712 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOCC)[C@H]2c1ccc(O)c(O)c1 1864015758 FBAPBFLSEVSONM-NRFANRHFSA-N 492.576 3.609 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016662 UZJFPMCVOMYHHW-JOCHJYFZSA-N 482.540 3.992 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865027089 MMFVDVCHGHALSH-XMMPIXPASA-N 482.540 3.945 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865028714 YKRCVRMWARMQDP-JOCHJYFZSA-N 462.550 3.522 10 10 JHCE COc1cccc2c1C(=O)N([C@H](C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)C(C)C)C2=O 1865835703 NZJCCCSKADQDHF-QHCPKHFHSA-N 482.492 3.730 10 10 JHCE CC[C@@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866958133 XZAUGQGJMLSHCM-VGOFRKELSA-N 490.943 3.725 10 10 JHCE CCCC[C@H](NC(=O)Cc1coc(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867225136 KIQFMDORQZMIOI-NRFANRHFSA-N 459.502 3.615 10 10 JHCE CCCC[C@@H](NC(=O)CCNc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868798936 VPCNJJJPQVLAEX-XMMPIXPASA-N 482.625 3.530 10 10 JHCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873170341 WFZALDKMBAXYEC-UHFFFAOYSA-N 489.620 3.936 10 10 JHCE O=C(N[C@@H](C(=O)O)c1cc(Br)cc(Br)c1O)OCc1ccccc1 1951385206 LFSWKLOOIOLMPV-CYBMUJFWSA-N 459.090 3.969 10 10 JHCE COc1ccc(Br)c(CNCCC2(OC)CN(C(=O)OCc3ccccc3)C2)c1O 2236054295 HAXYSIUPMZCHMD-UHFFFAOYSA-N 479.371 3.681 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 2297362077 XVRAICQEVBUOJN-UHFFFAOYSA-N 485.496 3.688 10 10 JHCE CC(C)Cn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 2297508718 BSUDDZSIZRIFOD-UHFFFAOYSA-N 479.602 3.835 10 10 JHCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39989966 JSTWQBNFSIRRAI-IZQLPPHKSA-N 486.663 3.809 10 10 JHCE Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)N4CCCCC4)cc3)SC2=S)cc1 40940608 WFKJFRKCWIHVSR-RCCKNPSSSA-N 495.626 3.933 10 10 JHCE Cc1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 106274550 UPLRBZGGXRFAEB-UHFFFAOYSA-N 451.567 3.730 10 10 JHCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526158282 MTJYZSFEFNTYIR-XMMPIXPASA-N 477.469 3.943 10 10 JHCE CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 1567704138 WKXDPNQUCPTJOA-UHFFFAOYSA-N 458.562 3.823 10 10 JHCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1857997593 GJVMWKRSJNXPSD-UHFFFAOYSA-N 470.482 3.605 10 10 JHCE CCOC(=O)C1CCN(C(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1 1860345242 WMFYSRUUVOFMCV-UHFFFAOYSA-N 498.583 3.766 10 10 JHCE CCCNC(=O)C(=O)Nc1sc(CC)c(-c2ccc(Br)cc2)c1C(=O)OC 1860763941 SMVGXVGRCQVKHW-UHFFFAOYSA-N 453.358 3.991 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccccc5F)ncnc4n3C)CC2)cc1 1875197011 NZZOFXYXYLZAPN-UHFFFAOYSA-N 474.540 3.691 10 10 JHCE COc1cc(N2CCOCC2)ccc1C=C1SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 2294034263 SUWHXXVLZSAEKR-UHFFFAOYSA-N 467.547 3.515 10 10 JHCE COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2296711433 ZKCCVLBCQGDSOD-UHFFFAOYSA-N 495.626 3.897 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1 2297555715 WIVINXOMOZTAJD-UHFFFAOYSA-N 459.458 3.793 10 10 JHCE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2C)cc1 3657913 LYSLVRLJGHASTR-SXOMAYOGSA-N 485.584 3.963 10 10 JHCE CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 9235776 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O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 731402285 WSMFAKARYSKKEV-NHCUHLMSSA-N 474.579 3.558 10 10 JHCE CC(=O)N1CCC(Cn2c(CC(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)CC1 1359366038 SSAOZKPHQTUHLW-UHFFFAOYSA-N 452.647 3.972 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(O)cc(-c4ccc(C)cc4)n3)CC2)cc1 1858511625 SNSKCEWLMUCJGA-UHFFFAOYSA-N 450.564 3.607 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)Nc2nc3c(s2)CN(C)CC3)sc(C)c1-c1ccc(C)cc1 1860767532 WHDRVZUVUSYAAD-UHFFFAOYSA-N 484.603 3.840 10 10 JHCE CCC[C@@H](NC(=O)c1ccccc1OCC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862055464 MCMYWTVMYNQXEN-XMMPIXPASA-N 467.610 3.977 10 10 JHCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864017064 DNFSIPNONUUQGU-IBGZPJMESA-N 468.941 3.719 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H]4C[C@H]4c4ccccc4Cl)n(C)n3)CC2)cc1 1869969554 QGWLPTGBLXWMOO-VQTJNVASSA-N 466.973 3.546 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 1873170307 UYURQDCFRNHISU-QHCPKHFHSA-N 498.627 3.857 10 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3.877 10 10 JHCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C[C@@H](O)COc2ccccc2Br)cc1 256038702 RGQWTMYNMCUKPP-RTWAWAEBSA-N 463.416 3.936 10 10 JHCE CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867394039 KTOXAVNZLKMRQA-CLJLJLNGSA-N 496.652 3.622 10 10 JHCE Cc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867885779 MCDANSMBJKGUBM-OFVILXPXSA-N 450.627 3.831 10 10 JHCE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCCc1ccccc1 2297365259 SIJQWIBQOISDDN-UHFFFAOYSA-N 491.569 3.770 10 10 JHCE Nc1ccc2c(O)c(N=Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)c(S(=O)(=O)O)cc2c1 2333315918 ZSHNSNDVNDUHIM-UHFFFAOYSA-N 489.487 3.895 10 10 JHCE CSc1ccccc1C(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 10671933 VYBDHDDFTVGJIF-WOJGMQOQSA-N 458.586 3.768 10 10 JHCE CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(O)cc2C(=O)O)C1=O)=C\c1ccccc1 16922494 ITKMWWHDTSIKIB-LDFNIPPCSA-N 454.529 3.877 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccccc1 252675613 UNEUHONDHJCLEF-XMMPIXPASA-N 475.614 3.645 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCC(F)F)[C@H](C)C1 1359383860 KHGCVOGUMQITCT-GOSISDBHSA-N 486.567 3.691 10 10 JHCE C/C(=C/C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(C(F)(F)F)c1 1617142785 JEGRIVCJMDBBJL-SSZFMOIBSA-N 452.498 3.660 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(OC)cc4OC)n4ccccc34)CC2)cc1 1858347526 KTVXUCXPUNHBLW-UHFFFAOYSA-N 472.545 3.990 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864012336 XWKNOSCNXDALES-YEJXKQKISA-N 482.968 3.914 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864023000 TYRGKTYFTQOIFK-INIZCTEOSA-N 482.503 3.970 10 10 JHCE CC[C@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867723327 FSYRPXNPFHNRMY-IZZNHLLZSA-N 494.636 3.530 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1 1868972206 WHUSJRCOOMKPGL-HXUWFJFHSA-N 490.695 3.784 10 10 JHCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2296712162 FRRZCTMVQSEXQN-UHFFFAOYSA-N 487.990 3.543 10 10 JHCE Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1cccc(F)c1 8646986 HSXDFKVTNRVETH-DEOSSOPVSA-N 464.453 3.791 10 10 JHCE CCc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38607132 ULSOMNJQGLQYKG-DEOSSOPVSA-N 469.607 3.692 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084273504 ZVUPYPXKGZCHFS-MOSHPQCFSA-N 488.521 3.804 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3ccc(N4CCCCC4)cc3c2=O)c2nccn2C)cc1 1866463871 APNRXWLCDNFDNE-RUZDIDTESA-N 484.604 3.837 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871529026 ZJIYZBCWQHJFHS-UHFFFAOYSA-N 496.619 3.996 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871717361 DIXBIAANFANOSJ-UHFFFAOYSA-N 483.576 3.690 10 10 JHCE COc1ccc([C@@H](C2CCC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2080053940 MGJCERJGZRWWHJ-MRXNPFEDSA-N 483.350 3.988 10 10 JHCE COc1ccc([C@H](C)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 2271977960 IPRNFBVBAOXDKJ-INIZCTEOSA-N 465.591 3.908 10 10 JHCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OCCc4ccccc4)c(OC)c3)C2=O)cc1 2297366290 PSPFVBOHJZYOCA-UHFFFAOYSA-N 486.524 3.955 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1O 2313549120 NRULIUQAIROKII-UHFFFAOYSA-N 459.296 3.837 10 10 JHCE CCCC[C@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328607997 NHRCUHCFGUZNJN-QHCPKHFHSA-N 480.565 3.640 10 10 JHCE Cc1ccc(Cn2ccnc2CCCN2C(=O)c3ccccc3C2=O)c(O)c1Br 2352671085 LXOUNBMGXFGNBA-UHFFFAOYSA-N 454.324 3.937 10 10 JHCE COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3ccc([N+](=O)[O-])cc32)S1 58871002 NQGJIVJHCNBCPY-UHFFFAOYSA-N 452.535 3.875 10 10 JHCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1O 1084480004 JPWUJPVLJMILTD-XFFZJAGNSA-N 465.300 3.524 10 10 JHCE C=CC(=O)Nc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1 1634162380 KNQIASDFHNCPMA-NRFANRHFSA-N 452.555 3.873 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1859466372 UNZAUWJFDKWDPX-UHFFFAOYSA-N 487.471 3.906 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 1862233155 KZFJWIKUNVAIRS-UHFFFAOYSA-N 474.001 3.751 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865030706 OZDHAUTUCBRVNS-IIBYNOLFSA-N 468.598 3.998 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC1)[C@H]2c1ccc(O)c(O)c1 1865031426 GRJOUIQTSRCJRF-FQEVSTJZSA-N 460.534 3.688 10 10 JHCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032388 BKGUQVOJMYAZLV-JOCHJYFZSA-N 490.560 3.562 10 10 JHCE CCc1sc(NC(=O)[C@@H](N)Cc2cnc[nH]2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866031335 CQXCAWIJRBMHCR-AWEZNQCLSA-N 477.384 3.758 10 10 JHCE CCC[C@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868612671 HXWYEBHIGFCNCF-VWLOTQADSA-N 460.578 3.733 10 10 JHCE CC[C@](C)(NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868937088 OOPCMLQIGZLTOV-NDEPHWFRSA-N 479.621 3.909 10 10 JHCE CCOCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870610877 QNGCYVPYVSFRLF-UHFFFAOYSA-N 469.626 3.951 10 10 JHCE CCCCCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870676911 TXBWXWXBSYHNRJ-VWLOTQADSA-N 469.626 3.927 10 10 JHCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccco3)ncnc21 1875201505 RIXBVXYJDBMJGH-UHFFFAOYSA-N 460.538 3.627 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296546118 OHTUEZHHJSLYBA-QAPCUYQASA-N 480.615 3.840 10 10 JHCE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21)NC1CCCC1 2297559031 DNFDAAGFNPFZJS-UHFFFAOYSA-N 490.560 3.671 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Cl)c1OC(C)C 6078859 SMZFECMHMNEANO-RQZCQDPDSA-N 463.943 3.589 10 10 JHCE COc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(N2CCOCC2)cc1OC 20496586 NTTLUGMPWSAORO-UHFFFAOYSA-N 470.378 3.974 10 10 JHCE COc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619985 FDDZOUSMLXIIKZ-HSZRJFAPSA-N 450.539 3.982 10 10 JHCE CC1CCN(C(=O)COc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)CC1 39793891 OUJRFSUELYDZMX-DHDCSXOGSA-N 455.399 3.575 10 10 JHCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526468522 ICICJWUSTJBSNZ-QHCPKHFHSA-N 477.469 3.959 10 10 JHCE CN(C)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586234147 NARFSBFENKABPN-UHFFFAOYSA-N 454.935 3.928 10 10 JHCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@H](C(F)F)N1CCOCC1 1705546195 DHHKAFFSOWKWBJ-HSZRJFAPSA-N 482.579 3.778 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(OC)c(Cl)c4)cn3)CC2)cc1 1858434127 PUDGYDZETUSKCD-UHFFFAOYSA-N 488.997 3.880 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1862120152 GTZAKKUPNLEEKW-SANMLTNESA-N 493.554 3.592 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864019440 YUEAEEZCUSFTAQ-NRFANRHFSA-N 480.540 3.511 10 10 JHCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029316 KKPXOOVLHKPDMO-JOCHJYFZSA-N 490.560 3.562 10 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480.524 3.924 10 10 JHCE aggregator COc1cc(/C=C2/SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1OCCC(=O)O 16912005 UTAALMJDNSPQKF-CPNJWEJPSA-N 459.545 3.698 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)sc2c1CCCC2 21353004 YBEYTPOESOBISZ-INIZCTEOSA-N 458.555 3.972 10 10 JHCE CC(=O)NCCc1c(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=S)N=C2O)[nH]c2ccccc12 34240808 QQZOKHYALMPTDM-XDHOZWIPSA-N 464.522 3.653 10 10 JHCE CCOc1ccc(CC(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38598168 ZMNRAHCVFXEKMS-RUZDIDTESA-N 463.578 3.909 10 10 JHCE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)[C@H](C)C1 1359392658 YNAVSPJPBZORHO-OAQYLSRUSA-N 452.647 3.818 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(S(=O)(=O)c4cccs4)CC3)cc2)c1 1860900792 OSSBNCCBLDQCIX-UHFFFAOYSA-N 470.620 3.577 10 10 JHCE COc1ccc(NC(=O)c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3n2C)cc1 1873650291 HITCUOGZSTXGGB-UHFFFAOYSA-N 472.549 3.564 10 10 JHCE COc1cccc([C@H]2[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)c1OC 1874016550 GFNSOXKDRXPPMN-CYFREDJKSA-N 484.508 3.637 10 10 JHCE COCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2053515938 QTXKEFMOTWNNJH-HNNXBMFYSA-N 466.588 3.715 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O 2314414110 PWQOFCZGNZFDPE-MRXNPFEDSA-N 472.636 3.985 10 10 JHCE O=C(O)CNC(=O)CCCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314831958 WLEQELHPLHNXHP-UHFFFAOYSA-N 456.545 3.661 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3ccc4c(c3)OCO4)c3ccco3)CC2)cc1 38620030 FPQHEISZEUSHJV-NRFANRHFSA-N 464.522 3.702 10 10 JHCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCCc4ccccc4)[C@@H]3C2)cc1 35871668 IISILOVLVSYYNH-XCZPVHLTSA-N 471.601 3.930 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cc(C)cc(C)c3)c3ccco3)CC2)cc1 38619598 NQMZOWMTMFZZJJ-DEOSSOPVSA-N 476.577 3.523 10 10 JHCE COc1cc([N+](=O)[O-])ccc1-n1cccc1/C=C1\C(=N)N2N=C(C(F)(F)F)SC2=NC1=O 32964497 QPRRIXKCAJBWLZ-FSNLMGIQSA-N 464.385 3.576 10 10 JHCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@@H]32)cc1OC 226886516 MOCWPKKMCMHUQS-IMWIBFENSA-N 456.564 3.551 10 10 JHCE CCN(CCO)C(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586709450 RZTINERVLLOZPZ-UHFFFAOYSA-N 457.486 3.560 10 10 JHCE CC(=O)c1cccc(OCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 1136903688 JSJGVZDXHQRVME-JOCHJYFZSA-N 455.555 3.716 10 10 JHCE Oc1ccc(CNc2cc(I)cc(I)c2)cc1O 690340691 QFVSHCPCCYZDKG-UHFFFAOYSA-N 467.044 3.919 10 10 JHCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 1318237824 HOBILHAHIYTGEX-UHFFFAOYSA-N 487.025 3.618 10 10 JHCE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC(=O)NCc1ccco1 1705480924 ZDCJRLJJVLDVRM-GOSISDBHSA-N 456.550 3.720 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCSc2nccs2)CC1 1722748429 XWAYNZCEWIJDMZ-GOSISDBHSA-N 464.661 3.606 10 10 JHCE CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 6461693 PPOVSVDUVDDZOP-OKGRRGNVSA-N 494.620 3.940 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c([N+](=O)[O-])c2)c1 1860849918 ZUXJJUNBFNLTIF-UHFFFAOYSA-N 473.533 3.876 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c2nccn2C)cc1 1866009459 AUDNQPVNIBMMFL-XMMPIXPASA-N 497.530 3.945 10 10 JHCE C[C@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866715921 PSBUYSWWVLZEFX-IVZQSRNASA-N 490.943 3.725 10 10 JHCE CCC[C@@H](NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867160644 XPSMLKFTQQLQGR-OAQYLSRUSA-N 493.523 3.784 10 10 JHCE CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868831489 LRMDTEDLLINCPW-DSITVLBTSA-N 467.585 3.962 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515155 MKZZCXCEHLAMHS-UHFFFAOYSA-N 486.555 3.519 10 10 JHCE CCN(CC)c1ccc(-n2c(=O)ccc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc32)cc1 1873536438 GXMGJLQPHUTBOK-UHFFFAOYSA-N 484.604 3.962 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2040499453 YJSDSYFAUUAGHT-CQSZACIVSA-N 460.650 3.556 10 10 JHCE CCCOc1cc(N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)ccc1N 2044723550 CVBDGFTZVSQGNN-UHFFFAOYSA-N 452.596 3.913 10 10 JHCE COc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2nnc(CC(C)C)s2)C1=O 2297349319 MXQNFUGTIHRQNV-UHFFFAOYSA-N 462.622 3.975 10 10 JHCE Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 11126632 SSPLWBXDXFAGIV-UHFFFAOYSA-N 488.565 3.810 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15047055 WWVZKIAFBRXOJB-QXGSTRBFSA-N 486.571 3.806 10 10 JHCE COc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c(C)c1 62694434 QDBCUKJZBAMJMS-UHFFFAOYSA-N 495.645 3.909 10 10 JHCE COc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c(C)c1 62694763 JGJCSNOGJKJOIE-UHFFFAOYSA-N 499.608 3.739 10 10 JHCE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc21 1654282816 URRDYRMKQYYGNL-PXNSSMCTSA-N 458.580 3.622 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)C1 1741020125 WEBJAKHWZVARGP-QFIPXVFZSA-N 484.714 3.773 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCCSc2nccs2)[C@H](C)C1 1760609555 PTVREHURTWWVOC-QGZVFWFLSA-N 456.641 3.949 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)CC2)cc1 1858086256 DIELQTNCEBXCQI-RUZDIDTESA-N 451.611 3.715 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCCOc3ccc4ccccc4c3)CC2)cc1 1862221347 IEFUJENPECKKKM-NRFANRHFSA-N 475.589 3.861 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864007662 ROVJHXDILARORL-GOSISDBHSA-N 475.332 3.729 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)nc(C(C)C)n3)CC2)cc1 1867946399 FHZBMBQIULCKOM-UHFFFAOYSA-N 496.656 3.992 10 10 JHCE CCOC(=O)CN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(F)cc2)n1 1867985041 HIXURPCLPCFCTC-UHFFFAOYSA-N 479.556 3.617 10 10 JHCE O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccccc1N1CCOCC1)c1ccccn21 1873972932 FJFUHKYXNIKACX-UHFFFAOYSA-N 451.482 3.804 10 10 JHCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2cn(CC(=O)O)c3ccccc23)C(=O)NC1=S 2293556356 OBMXAQGZCSXHJL-UHFFFAOYSA-N 453.907 3.519 10 10 JHCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1NC(=O)C(F)(F)F 2297534023 GMIKPAAFBVSOLQ-UHFFFAOYSA-N 468.844 3.585 10 10 JHCE C[C@H](Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)O 2313543642 YEERQVTTZBTHPA-JTQLQIEISA-N 465.314 3.677 10 10 JHCE C[C@@H](NC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)C(=O)O 15045034 KBHDIOBQNRQDCC-QJMZJAKPSA-N 485.425 3.800 10 10 JHCE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33803847 AFVPGCFBEZOZLQ-CPNJWEJPSA-N 498.605 3.992 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 39835996 FZFHBYNEHNVSNZ-SFQUDFHCSA-N 471.535 3.782 10 10 JHCE COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)NC2=S)c(OC)c1 59595221 SLQXWTGQHQLQFY-LFIBNONCSA-N 479.470 3.703 10 10 JHCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1ccccc1 96460709 RNYZICDJJZPRDD-ODXNEQJUSA-N 469.592 3.742 10 10 JHCE CC(C)CCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 102824193 CHIQBNCJWKEMMD-NBVRZTHBSA-N 482.635 3.641 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 214755047 QLSBOHJPKLBXQH-LDADJPATSA-N 473.532 3.842 10 10 JHCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1 226789909 PNBCQCZXVBXRPU-USKVXJDGSA-N 455.536 3.879 10 10 JHCE CC(=O)c1cc(F)cc(F)c1OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1643694262 MRBHTYWHXGHUSG-KBPBESRZSA-N 450.457 3.615 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(F)c(F)c4)n4ccccc34)CC2)cc1 1858245252 JUTFEODEBDKVIG-UHFFFAOYSA-N 491.498 3.836 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NC2=NCCS2)sc(C)c1-c1ccc(Br)cc1 1860767841 KBJWYAOQRQUBLN-UHFFFAOYSA-N 496.408 3.820 10 10 JHCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CCCCOc3ccccc3)c3ccccc32)SC1=S 1860826976 NKGVJRWWFTXBLV-MRCUWXFGSA-N 482.583 3.939 10 10 JHCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865034432 WKDHXQWMGHZZBF-NRFANRHFSA-N 490.560 3.697 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4sc(C)nc4C)n(C(C)(C)C)n3)CC2)cc1 1869970980 WEDDEBIVISUZLO-UHFFFAOYSA-N 469.615 3.694 10 10 JHCE CC(C)(C)OC(=O)N1CCN[C@](C)(c2cc(Br)cc(Br)c2O)C1 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460.353 3.864 10 10 JHCE CC[C@@H](NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867900738 CPQLURLARXWSIV-RPBOFIJWSA-N 450.627 3.913 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)cc1 1868907325 FNFVHDCMANRCTR-UHFFFAOYSA-N 468.557 3.922 10 10 JHCE COc1ccc(N2C(=O)[C@@H]3[C@@H](/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 22715915 IXJIORVRZSWRLY-HAXQNCNSSA-N 479.488 3.731 10 10 JHCE CCOCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 33362007 IBPCHNRPCTYOCO-GHRIWEEISA-N 470.576 3.527 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cccc(Cl)c3)c3ccco3)CC2)cc1 38619221 LPLNNNCFSCVILN-JOCHJYFZSA-N 475.998 3.783 10 10 JHCE CCCOC(=O)c1ccc(CN(c2cccc3c2C(=O)c2ccccc2C3=O)S(C)(=O)=O)cc1 586186291 SUYLTISMKDJWDI-UHFFFAOYSA-N 477.538 3.995 10 10 JHCE CC(C)Oc1ccc(/C=C2\SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 606630975 RMEQBLLQPNPAIP-UYRXBGFRSA-N 462.618 3.565 10 10 JHCE CC(=O)N1CCc2ccc(S(=O)(=O)N(Cc3ccccc3O)C3CCCCC3)cc2CC1 1561290277 XAWBIDIXTIAOFF-UHFFFAOYSA-N 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3.898 10 10 JHCE Cc1ccc(CNC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c(O)c1Br 2381133476 PEPMTGRLAPETMA-UHFFFAOYSA-N 456.362 3.874 10 10 JHCE Cc1ccc(N2C(=O)/C(=C3\C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)c(C)c1 33415604 JOCPGXUFMBQAKT-QURGRASLSA-N 478.643 3.631 10 10 JHCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526158478 IHDOXQQXENYSSN-XMMPIXPASA-N 477.469 3.943 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 1083930291 NSPAVKDTQDNURV-JYRVWZFOSA-N 450.632 3.677 10 10 JHCE CCC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861996454 HTIJFMBGHVENHZ-IGKIAQTJSA-N 492.664 3.541 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3ccccc3F)CC2)cc1 1862248861 JWRZXECGUOUGTD-AREMUKBSSA-N 493.554 3.592 10 10 JHCE CCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665272 KWQHLSKXIMXNCS-OQKWZONESA-N 465.550 3.611 10 10 JHCE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866822000 PPPODLMYBHHKSW-JKSUJKDBSA-N 458.489 3.923 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCC(C)(C)c3ccc(C)cc3)CC2)cc1 1868729111 YHTOCDJMAMIROO-OAQYLSRUSA-N 451.611 3.915 10 10 JHCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCC(C)C)[nH]1 1871557008 WHLBTWNBRCUHTF-UHFFFAOYSA-N 475.641 3.815 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 2297346683 MGCRTLFQHUDWPS-UHFFFAOYSA-N 481.262 3.814 10 10 JHCE COc1ccc(-c2nonc2NC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)c(C)c1 2314828799 KOEFNOKCEQIBLL-UHFFFAOYSA-N 466.544 3.894 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1 2314836380 DTBZUXJCKOSNRN-ZDUSSCGKSA-N 456.545 3.797 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=N)N21 96460555 BBRNSIOTROJRGT-AMWUQPRHSA-N 469.592 3.722 10 10 JHCE COCCCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586609011 WXICPRRRAYUAGB-UHFFFAOYSA-N 457.486 3.872 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4cccnc4)on3)c3ccccc3)CC2)cc1 1868982285 CJVBQZHVLDVFGO-SANMLTNESA-N 497.555 3.565 10 10 JHCE CCN(CC)C(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871083064 BKLURIUDPNGCBW-HXUWFJFHSA-N 478.593 3.832 10 10 JHCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC(C)C)C1=O 1873165646 OGSPQZFRXFCLCQ-UHFFFAOYSA-N 453.583 3.615 10 10 JHCE COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2293473725 SUUYBVHAIQGMAN-UHFFFAOYSA-N 455.966 3.914 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 2314827364 CITXVTSEFJSFLG-UHFFFAOYSA-N 473.532 3.929 10 10 JHCE COc1ccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)O)c3)C(O)=NC2=S)c(OC)c1 33333161 ZOPCTLHQWWISFK-PDGQHHTCSA-N 477.498 3.864 10 10 JHCE Cc1ccc2nc(NC[C@H]3CCCO3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 33511164 NGSODXDFMZRWNQ-BDBXIWDTSA-N 492.626 3.995 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3C)c3ccco3)CC2)cc1 38598171 DUGMQPYUXFMNKT-QHCPKHFHSA-N 464.522 3.798 10 10 JHCE CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 86077425 NZVJCQBVMLZWKG-FQEVSTJZSA-N 475.593 3.602 10 10 JHCE O=C(CSc1ccc(Cl)cn1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 913540636 FLNIGEYUNYLYHW-LZYBPNLTSA-N 494.019 3.573 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(O)cc(-c4cccc(C)c4)n3)CC2)cc1 1858511971 QONHLKCBQNDADE-UHFFFAOYSA-N 450.564 3.607 10 10 JHCE CC[C@](C)(NC(=O)CCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861947582 CNCGZMQSQMJBQZ-VWLOTQADSA-N 458.002 3.915 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864008600 NRCPGVYFPPKOBS-HSZRJFAPSA-N 474.561 3.795 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865033346 XVFCAFDQOAJZBD-AOMKIAJQSA-N 474.561 3.942 10 10 JHCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873426080 TWBNCVWACHEIFO-UHFFFAOYSA-N 484.600 3.927 10 10 JHCE COc1cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc(O)c1O 1952887826 MAGRJPSKJLJFHN-FNZWTVRRSA-N 461.470 3.945 10 10 JHCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccccc1Br 2040496496 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CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2040498775 PCCDMSHXXOPQAM-UHFFFAOYSA-N 480.615 3.934 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC 2294253479 ZGWPNUSOLQIVRI-UHFFFAOYSA-N 460.939 3.977 10 10 JHCE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)C2=O)cc1 2297458271 DQWWGJWVRUUFQE-UHFFFAOYSA-N 480.860 3.635 10 10 JHCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C[C@@H]1CCCO1 2313630125 KSPXYCGKTJCTNN-SFHVURJKSA-N 472.339 3.713 10 10 JHCE COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)c(Br)c3)C(O)=NC2=S)cc1 33320006 YEOPHBVXXPHSLC-ZSOIEALJSA-N 491.319 3.593 10 10 JHCE COC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 40888843 XSHBSTQQVJYNKB-LCYFTJDESA-N 460.371 3.621 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54310847 VBUQAGJJROMWCM-VTJDKEBTSA-N 471.579 3.670 10 10 JHCE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(OC)c(OC)c4)SC3=S)C2=O)cc1 101974293 HZZDXOZIHIRNDN-BRLDDBHUSA-N 498.582 3.636 10 10 JHCE 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10 10 JHCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)c1OC 526157856 BVIMWXNYGJBALB-QHCPKHFHSA-N 477.469 3.943 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)c(Cl)c1O 1084476515 SNRQADIFUCKBOG-TWGQIWQCSA-N 485.718 3.787 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)ccc3Cl)cc2)CC1 1632945306 NGNHXCSKBBRPHC-UHFFFAOYSA-N 450.764 3.701 10 10 JHCE C=CCNC(=O)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](CCOC)C1 1705895956 XYKPGGXMFWLSIW-OAQYLSRUSA-N 462.598 3.518 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccc(O)c(O)c4)c4ccccc34)[C@H]21 1860347272 GWDHRROUKZAEHO-NDEPHWFRSA-N 496.567 3.558 10 10 JHCE CCC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862186073 SRXAWDIRFNDVEA-QHCPKHFHSA-N 474.001 3.670 10 10 JHCE CCC[C@H](NC(=O)CCCOc1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862210306 DZMPBYZFIDNQNN-VWLOTQADSA-N 467.610 3.796 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3C(=O)OC)C2)sc2c1CC[C@H](C)C2 1865924342 RHFJSLICMXCMOO-GJZGRUSLSA-N 484.574 3.828 10 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CCOc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 205691530 CITXVTSEFJSFLG-LDADJPATSA-N 473.532 3.929 10 10 JHCE CC[C@H](Oc1ccccc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)C(=O)O 1772761084 SVPWJARVZIYMCG-YVPLBCMISA-N 471.556 3.826 10 10 JHCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@H](C)C(=O)N3)cs1 1859573630 OWEATQLYBQXCQL-ZDUSSCGKSA-N 498.586 3.802 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3cc(Br)ccc3c2=O)c2nccn2C)cc1 1866456259 UYQVTYRZIFTAJE-FQEVSTJZSA-N 480.366 3.610 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(O)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867964312 LTWZRKXSHUXACI-UHFFFAOYSA-N 459.594 3.748 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OC(C)(C)C)cn3CCC(C)C)CC2)cc1 1870445874 MGIXZSWSGXDYPI-UHFFFAOYSA-N 499.652 3.946 10 10 JHCE CCCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871030495 CBLLIVOBPBVZNK-UHFFFAOYSA-N 476.577 3.852 10 10 JHCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2nc3ccccc3[nH]2)C1=O 1873165948 XNVVOLXCBZEPQX-UHFFFAOYSA-N 497.599 3.919 10 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O=C1c2ccccc2C(=O)c2c(NC(=O)c3nn(-c4ccc(Cl)cc4)c(=O)cc3O)cccc21 1859616665 WYVJHUQQKBDEFN-UHFFFAOYSA-N 471.856 3.619 10 10 JHCE O=C(Nc1nnc(C2=S=CC=C2)s1)c1c2c(nc3ccc(Br)cc13)CCOC2 1859656400 GCJKBJOWXPFIBY-UHFFFAOYSA-N 473.377 3.800 10 10 JHCE CCC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866702557 LDNYQHNEFYVKCV-UKILVPOCSA-N 483.568 3.988 10 10 JHCE CC[C@H](NC(=O)CCNc1ccccc1OC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866889076 HTDMWHYSXLAIQQ-FQEVSTJZSA-N 485.540 3.806 10 10 JHCE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)CC2=O)cc1 1873427462 SXLZCZMQCVVXIK-HNNXBMFYSA-N 470.547 3.582 10 10 JHCE CCCCOCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873569371 GKGDFXRHQXRLIG-UHFFFAOYSA-N 494.640 3.723 10 10 JHCE COc1cc(Br)c(C=C2C(=O)NN(c3cccc(Br)c3)C2=O)cc1OC 2297307047 MRSCPHOAZHLUGP-UHFFFAOYSA-N 482.128 3.690 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2297324947 PTPFVPLVKMRCOU-UHFFFAOYSA-N 473.441 3.849 10 10 JHCE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S 2297464050 KLTFJVAILHPIBO-GFCCVEGCSA-N 482.333 3.838 10 10 JHCE O=C(NC1CCCCC1)NN1C(=O)C(=Cc2ccc(I)o2)SC1=S 2297576503 DPXHHCHQLSFCGM-UHFFFAOYSA-N 477.349 3.632 10 10 JHCE COCC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2313543958 VGDYFQVJJFDOFQ-UHFFFAOYSA-N 493.697 3.962 10 10 JHCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(O)c(Br)c1 2313560868 JOSMWPSSELYCCD-UHFFFAOYSA-N 482.153 3.749 10 10 JHCE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 33812579 RYNHHJOWJMCVIX-IEOAWGNMSA-N 487.695 3.580 10 10 JHCE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1C 1084608508 VDHPHQPGQAROCS-AQTBWJFISA-N 484.350 3.569 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCCN(C)C)sc(C)c1-c1ccc(Cl)cc1 1860759509 UQKVGSZTFOTHEW-UHFFFAOYSA-N 451.976 3.560 10 10 JHCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864009316 FEDIOXBMPMWCRJ-FQEVSTJZSA-N 486.931 3.663 10 10 JHCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864011602 WKLDRCJYYYQSNY-IBGZPJMESA-N 468.941 3.720 10 10 JHCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016269 KWVLIWITFMULBB-OAQYLSRUSA-N 492.576 3.516 10 10 JHCE Cc1ccc(CNC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c(O)c1Br 1905138941 QMLSVOPTLTWEMG-UHFFFAOYSA-N 488.423 3.971 10 10 JHCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2040499452 YJSDSYFAUUAGHT-AWEZNQCLSA-N 460.650 3.556 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C2=O)cc1 2297313822 JLVGEQMKLSAPSI-UHFFFAOYSA-N 472.501 3.632 10 10 JHCE O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2)c(C(=O)O)c1 2297342232 IQRUHTBIEWHPTI-UHFFFAOYSA-N 458.495 3.795 10 10 JHCE CCc1ccc(OCCCNC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2297617173 PEBXHRHWMDRBCC-UHFFFAOYSA-N 461.440 3.793 10 10 JHCE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)C2=O)cc1OC 2314832363 FXFYNMPYPVONHM-HNNXBMFYSA-N 488.974 3.891 10 10 JHCE 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JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C)n1-c1ccccc1 62694451 UVWLNFOYGJBDEG-UHFFFAOYSA-N 472.010 3.937 10 10 JHCE CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)cc1OC 96556993 FTDGAKSKBAZMAE-WQRHYEAKSA-N 468.531 3.926 10 10 JHCE COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 210696851 YZJKATOWMCWSFT-LDADJPATSA-N 474.560 3.648 10 10 JHCE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705520309 PBJJZUSGWAUTHV-UHFFFAOYSA-N 461.614 3.669 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864018384 KDIIVOSVUFGOPI-IBGZPJMESA-N 486.931 3.528 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865030220 GHUUYHSUTLTFOS-JOCHJYFZSA-N 490.560 3.777 10 10 JHCE CCc1cccc(CC)c1N1C[C@H](C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865925510 LQMATWDFAGXZHK-RDGATRHJSA-N 473.621 3.870 10 10 JHCE CC[C@H](NC(=O)C1(c2ccc(N)cc2)CCCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868929648 KQFHWECQRGWVAS-VWLOTQADSA-N 478.637 3.723 10 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COc1ccc(N2CCN(c3nc(NC(=O)c4cc(Cl)ccc4Cl)n(C)n3)CC2)cc1 1869969173 ILGXNABZTXMTSU-UHFFFAOYSA-N 461.353 3.709 10 10 JHCE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2053539401 PMVWQSDURRWRQX-GFCCVEGCSA-N 482.879 3.637 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1 2314827922 PIXIFLKHWXHDNB-UHFFFAOYSA-N 456.545 3.799 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 20356660 IWPQSQXLNQABCG-YFGLPBLDSA-N 468.970 3.656 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 35518243 YHMCRBNTGIRZMY-RGEXLXHISA-N 486.575 3.963 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 47152153 LNHFTLFRIVBMHA-YVLHZVERSA-N 459.505 3.539 10 10 JHCE COc1cc(Br)cc([C@H](c2ccccc2)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1O 95948659 QQMRQYDLHPOYTP-AOMKIAJQSA-N 488.426 3.537 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 252665968 AAXNSNCLZXZSSA-NIDOWPBASA-N 473.598 3.529 10 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COc1cc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1cccc(F)c1 2297341915 DPJGMPWNWUWEPR-UHFFFAOYSA-N 462.433 3.785 10 10 JHCE CC1CCN(C2=NN3C(=N)C(=Cc4ccc(-c5cccc(C(=O)O)c5)o4)C(=O)N=C3S2)CC1 2297352596 FAPDHXHQMINKBI-UHFFFAOYSA-N 463.519 3.953 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 2297352620 GZXWSGMHWQABSW-UHFFFAOYSA-N 468.970 3.656 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O[C@H](C)C(=O)O 2314932474 MUEPVWOQHNYAMC-LLVKDONJSA-N 492.962 3.747 10 10 JHCE CCN(CC)c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cc1F 731402321 WXTDMPOFEARXLO-LJQANCHMSA-N 463.575 3.946 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3ccc(Cl)cc3)CC2)cc1 1861925747 OBTFMASVSMSKHE-RUZDIDTESA-N 493.991 3.744 10 10 JHCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1ccc(F)cc1 1865679465 OKRUEXXIHLQZAA-AUWJEWJLSA-N 451.332 3.849 10 10 JHCE C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370979 UUHYIMSOJXKMBL-MBSDFSHPSA-N 457.018 3.868 10 10 JHCE CC[C@@H](C)c1ccc(NC(=O)COc2nonc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1872675735 ARQIUPZVBPWVQE-GOSISDBHSA-N 493.564 3.572 10 10 JHCE COc1cc([C@@]2(C(=O)O)C[C@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1952829295 JTSXSYGMYHHXKS-GJZUVCINSA-N 461.470 3.740 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc(Br)c1O 2294133689 ACTYOJDPTKNOLC-UHFFFAOYSA-N 496.111 3.592 10 10 JHCE CCCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 2313548044 JQOUERUJZQZIGF-UHFFFAOYSA-N 459.296 3.913 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccoc3C)C2=O)ccc1O[C@@H](CC)C(=O)O 2314936129 VNTRZNATIPGRGT-HNNXBMFYSA-N 490.559 3.775 10 10 JHCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(F)cc2)SC1=S 40066651 FTUAXDPDMNCMOT-ZDLGFXPLSA-N 456.568 3.928 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(Br)cnc3Br)CC2)cc1 1544745232 NHCMNDVVGFOHSZ-UHFFFAOYSA-N 455.150 3.578 10 10 JHCE CC(=C/c1ccccc1)/C=C1/SC(=S)N([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 1772759492 ZHCNOHDHNCHVFK-SSLXIERGSA-N 487.628 3.509 10 10 JHCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3c(C)nc4scc(C)n34)SC2=S)CC1 1858591466 NVKSWHRMBVKDRH-OQLLNIDSSA-N 450.611 3.835 10 10 JHCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007476 NSFABRWLCAQSGM-RUZDIDTESA-N 496.567 3.954 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccs1 1865323355 DRHIOSOTDXIROT-QFIPXVFZSA-N 493.633 3.715 10 10 JHCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(CC(C)=O)CC2)n1 1868386910 LMURJDJIMNEBQN-UHFFFAOYSA-N 483.572 3.659 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3ccc([N+](=O)[O-])cc32)n1 1869123890 AGLANCJYRPSRCF-UHFFFAOYSA-N 460.538 3.977 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cc(C)ccc3O)cc1C2=O 1873879704 YKTKJPLDZQTQKA-UHFFFAOYSA-N 473.437 3.579 10 10 JHCE O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@@](C(=O)O)(c2cc(O)c(O)c(O)c2)C1 1951737798 VSXBBTMNHKFKAS-SANMLTNESA-N 461.470 3.781 10 10 JHCE CCCOc1ccc(Br)cc1C=C1SC(=S)N(CCN2CCOCC2)C1=O 2040496481 RJIHGWHSZMCSLI-UHFFFAOYSA-N 471.442 3.771 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2053498545 ZPTCGIWWBZNDNI-UHFFFAOYSA-N 466.588 3.544 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1 2297346498 PVENGBNLYGALAK-UHFFFAOYSA-N 469.592 3.742 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 2314457666 UHZKDCBTVCRJKE-UHFFFAOYSA-N 487.628 3.510 10 10 JHCE COc1ccc(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c1 47133167 KOEFNOKCEQIBLL-BOPFTXTBSA-N 466.544 3.894 10 10 JHCE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152399 SJPHMMLRGHXKRY-FFCYNSPCSA-N 458.477 3.731 10 10 JHCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(C(F)(F)F)cc3)SC2=S)cc1 1858590733 GRLPLNQGIJEHJN-LFIBNONCSA-N 472.535 3.797 10 10 JHCE O=C(Cc1ccc(Br)s1)NCCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858768958 QUUXWUHNWRZDCE-UHFFFAOYSA-N 497.370 3.974 10 10 JHCE CC/C(=C\C(=O)N[C@@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868666318 JVPUBPGAWMJVKN-LEMPSFLLSA-N 465.594 3.741 10 10 JHCE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)C4CCCCC4)nc(C)n3)CC2)cc1 1869284021 ZSXMWPZIEYSGDX-DEOSSOPVSA-N 478.641 3.538 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccccn3)n4CC(C)C)CC2)cc1 1873578317 GICROYFJFFADFE-UHFFFAOYSA-N 499.619 3.748 10 10 JHCE O=C(CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccccc1 2296715379 WRFKFYBPRZDHDS-UHFFFAOYSA-N 489.578 3.714 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 2313558589 FIHPITLHZYLTKP-UHFFFAOYSA-N 476.485 3.965 10 10 JHCE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)CC2)cc1 11085379 QDGONOPZJFKBAJ-UHFFFAOYSA-N 495.645 3.862 10 10 JHCE CCOc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(I)c3)C2=O)c1 34234607 RDIUGOGOMYDSEF-ZSOIEALJSA-N 478.242 3.902 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)N[C@@H](CO)Cc1ccccc1 103040685 JYEKEIXDYCFYEZ-UIMCMNAESA-N 461.008 3.651 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 210752444 NYFNMFSHTKAEGS-OBGWFSINSA-N 464.609 3.915 10 10 JHCE CC(=O)Oc1ccc(N=Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1C(=O)O 254288765 ASLYKDBHQZVPHW-UHFFFAOYSA-N 469.479 3.933 10 10 JHCE CS(=O)(=O)N(CCOc1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 586186124 OPVYMCKFYOAVII-UHFFFAOYSA-N 455.919 3.960 10 10 JHCE CCCC[C@@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861890361 QMABMFWOVPRQJQ-HSZRJFAPSA-N 477.609 3.771 10 10 JHCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864020370 CGZPZRYCTRUMOR-FQEVSTJZSA-N 454.571 3.800 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865031025 XGVYNWWAZNTWSQ-YWZLYKJASA-N 454.571 3.610 10 10 JHCE CC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868858114 VNIZTHXNMAPZKJ-RPBOFIJWSA-N 467.610 3.687 10 10 JHCE CCOC(=O)CCOc1cn(CCNC(C)=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870877396 KRMJEDMOXWXWQS-UHFFFAOYSA-N 492.576 3.672 10 10 JHCE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2294216831 FHPLSFWKHMHLJX-UHFFFAOYSA-N 465.712 3.663 10 10 JHCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 2296538441 PROOFPFMESXYBP-UHFFFAOYSA-N 487.990 3.543 10 10 JHCE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)SC1=S 2326944748 LJDSNPZEOBPRAO-UHFFFAOYSA-N 458.948 3.933 10 10 JHCE CC1CCN(S(=O)(=O)c2ccc3c(ccn3CCC(=O)NCc3ccc(N(C)C)cc3)c2)CC1 8593323 SVVSDYZNLJHRCQ-UHFFFAOYSA-N 482.650 3.834 10 10 JHCE CCCN1CCN(c2ncnc3sc(C(=O)NCc4ccc(N(C)C)cc4)c(C)c23)CC1 33048434 PVQDMAJCWVCSKB-UHFFFAOYSA-N 452.628 3.528 10 10 JHCE CC(C)N1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 33248663 COFBYRCRLIUITA-VCHYOVAHSA-N 480.571 3.645 10 10 JHCE CN(C)c1ccc(CN(C[C@H](O)COc2ccc(Br)cc2)C[C@H]2CCCO2)cc1 40316773 WSOIJNCZPSKNJR-JTHBVZDNSA-N 463.416 3.936 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2cc(C)cc(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 40317541 YMWFVHNNUBAPFA-RPBOFIJWSA-N 474.667 3.579 10 10 JHCE O=C(/C=C/c1ccc(O)c2c1C=Cc1cc(O)c(O)cc1O2)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 85948835 AVGRZVZQTALJJF-WAWJGKILSA-N 492.436 3.743 10 10 JHCE biogenic COc1cccc(/C=C2/SC(=S)N(CCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)c1 97595321 JSHXKHXJYFLNPG-RCCKNPSSSA-N 486.615 3.663 10 10 JHCE CCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 206849859 WJZXDRLKABFLAO-CYVLTUHYSA-N 476.620 3.622 10 10 JHCE CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCSc2nccs2)[C@H](C)C1 1741052193 DUCISLBGEXFARS-MRXNPFEDSA-N 474.631 3.704 10 10 JHCE CCN(C(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccn12)c1ccccc1 1858227316 SLYGHCXZNVSNBX-UHFFFAOYSA-N 483.572 3.972 10 10 JHCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018235 GKQGSODCEJMHSB-HXUWFJFHSA-N 482.968 3.778 10 10 JHCE CC[C@](C)(NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867135347 YXENVRZYLPKBLX-MHZLTWQESA-N 483.480 3.846 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868700622 YWDBYORKRPHEKW-CYFREDJKSA-N 455.574 3.818 10 10 JHCE CCC[C@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868764243 HPZMFHDANLEIBI-CYFREDJKSA-N 455.574 3.647 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(C3CCCC3)C2=O)cc1 1873168468 WJFXTPNSZCUNBQ-UHFFFAOYSA-N 457.578 3.993 10 10 JHCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC(C)C)C1=O 1873169793 VLBSHDNDFMMMEI-UHFFFAOYSA-N 480.653 3.921 10 10 JHCE CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1 1875232635 RSSRYHYTLQMVBL-UHFFFAOYSA-N 474.565 3.866 10 10 JHCE C[C@@H](CNCc1cc(Cl)cc(Br)c1O)N1CCN(C(=O)OC(C)(C)C)CC1 2192483237 FDKHBKYQZFVIII-ZDUSSCGKSA-N 462.816 3.839 10 10 JHCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccccc1OCc1cccc(F)c1 2297341930 KXAONCCIGNRIPU-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE CCOc1cc(C=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCC(=O)O 2297534596 XFWBKHIBEISXCQ-UHFFFAOYSA-N 459.545 3.959 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2313558984 OJGUSAWJMVYASR-UHFFFAOYSA-N 460.417 3.769 10 10 JHCE COc1cc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc(OC)c1OC 2314538716 FPQFNZMWBTYDSW-UHFFFAOYSA-N 475.500 3.515 10 10 JHCE Cc1ccccc1C(=O)NN1C(=O)C(=Cc2ccc(I)o2)SC1=S 2314717820 YQUFWSPSVNIDRA-UHFFFAOYSA-N 470.313 3.739 10 10 JHCE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39989767 YKBFFTVPLYWYCT-FASCHPMRSA-N 488.679 3.768 10 10 JHCE CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1 62694816 UGCJLKAIPCHRJM-UHFFFAOYSA-N 499.608 3.821 10 10 JHCE COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]23)c1O 248105414 LFHHOZWEBSOEBY-FZVPRWPTSA-N 492.572 3.953 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864014397 UIXPTJKKMMHFMZ-HXUWFJFHSA-N 454.571 3.656 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1864022298 LHUYEFMICHCMEM-KFNAQCHYSA-N 480.487 3.723 10 10 JHCE COC(=O)c1c(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(C)cc1 1866239859 WVNSUWDHBZUGON-INIZCTEOSA-N 489.594 3.916 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2O)N2CCCCC2)cc1 1866270204 TYJLKPIQZDAJGP-JOCHJYFZSA-N 496.011 3.615 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCc3ccccc3C)C(C)C)CC2)cc1 1868951296 CPOXKAYQEROQPV-AREMUKBSSA-N 451.611 3.816 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CC[C@@H](c5ccc6c(c5)OCO6)C4)nc(C)n3)CC2)cc1 1869295933 GHZZJWDVOCKDCD-OAQYLSRUSA-N 473.577 3.843 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cc(OC)cc(OC)c4)n(C(C)(C)C)n3)CC2)cc1 1869970541 NOQQKFYVGRMQFG-UHFFFAOYSA-N 494.596 3.638 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(N4CCCC4)cc3)CC2)cc1 1873535096 JRRUGHCOYBKELG-UHFFFAOYSA-N 482.588 3.716 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4C)c(OC)c3)C(=N)N21 2297345654 PHRHCIPSTXUVAT-UHFFFAOYSA-N 498.586 3.594 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 2313547858 DRVVWOLKONYIST-UHFFFAOYSA-N 454.870 3.905 10 10 JHCE CN1CCN(CN2C(=O)C(=C3SC(=S)N(c4ccccc4Cl)C3=O)c3ccccc32)CC1 2313621465 NOHUMIWRIVSWAU-UHFFFAOYSA-N 485.034 3.668 10 10 JHCE CCOc1ccc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)cc1OC 2323812674 SIYRGGXHRLUOQV-MRXNPFEDSA-N 459.545 3.697 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 20356276 SDMHLBVPLYYYIN-QOOLADICSA-N 493.520 3.726 10 10 JHCE CCCc1c(C)c2ccc(O)c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2oc1=O 22938176 IZGUWHYWAZOIPS-UHFFFAOYSA-N 450.535 3.806 10 10 JHCE CCN(CC)c1ccc(CN(CCOC)C(=O)C(C)C)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37423651 SEZZECCPRTWQIK-UHFFFAOYSA-N 492.638 3.940 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)cc1 54310906 UTDGBFAJWWUMOF-WIYYLYMNSA-N 462.587 3.655 10 10 JHCE Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 62694820 XOSIFOLJHSQWQZ-UHFFFAOYSA-N 469.582 3.731 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3csc(-c4ccc(OC)c(OC)c4)n3)CC2)cc1 606676214 XCTZBYKNROVMNI-UHFFFAOYSA-N 453.564 3.727 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC)C2=O)cc1 1084655583 ZAFFCECEHQPDPJ-ATVHPVEESA-N 459.296 3.913 10 10 JHCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(OCC)c(OC)c3)SC2=S)CC1 1858591526 RNBMYDDABYLXNK-QGOAFFKASA-N 450.582 3.916 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCC(C(=O)O)CC4)c4ccccc34)[C@@H]21 1860347588 ZVDWMSJRWQGFIR-AREMUKBSSA-N 486.572 3.502 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019379 XXNMBAVUKINRKN-HSZRJFAPSA-N 497.555 3.560 10 10 JHCE CCCc1nc(N2CCC(n3cnnc3C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869228313 LMSJKNUEDICPME-UHFFFAOYSA-N 476.629 3.506 10 10 JHCE CCCCCCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870681558 IWMOAEFVDHAPDE-UHFFFAOYSA-N 498.668 3.664 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873165297 GONIZZJFVIQTHD-QHCPKHFHSA-N 465.594 3.758 10 10 JHCE Cc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(C(N)=O)c2I)c(O)c1 2078994160 MCFYBDWFLRXAEC-KRWDZBQOSA-N 451.308 3.868 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCCOc3ccccc3)C2=O)cc1 2293202296 PFPXGWLQBSFKBI-UHFFFAOYSA-N 458.470 3.819 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)c1 2294973163 BVOBAZZBQFQATI-UHFFFAOYSA-N 482.496 3.526 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CC(=O)OCC(C)C)C2=O)cc(Br)c1O 2314741396 YQCYMONWESREDC-UHFFFAOYSA-N 474.398 3.954 10 10 JHCE CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)cc1 16906500 KEJBYQHWCVYQLL-LDADJPATSA-N 470.572 3.994 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)ccc1O[C@H](C)C(=O)O 33447202 WWUJZDXFMPDQNS-SHLUWWQESA-N 460.895 3.872 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858591669 UVTGXUHZTBHYBF-UHFFFAOYSA-N 464.499 3.598 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)/C=C/c3ccc(C)cc3)CC2)cc1 1861943711 GSHDCFBVDVTKNQ-GVUSLMEPSA-N 499.611 3.799 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864012296 WZIUPEOFZUYLKI-QMHKHESXSA-N 476.577 3.877 10 10 JHCE COC(=O)c1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(C)c1-c1ccc(C)cc1 1866026741 ZGAJCFGEIHSNJU-UHFFFAOYSA-N 493.497 3.961 10 10 JHCE CCn1c(C(=O)NCc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873569128 MFQHIGLAWKXOQY-UHFFFAOYSA-N 470.577 3.716 10 10 JHCE CCN(CC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2040498618 NJHUHTPQFUALKE-UHFFFAOYSA-N 494.598 3.671 10 10 JHCE CC1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccco3)C2=O)CC1 2053497767 CILZHPWEUMGBSO-UHFFFAOYSA-N 466.588 3.925 10 10 JHCE Cc1nn(Cc2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2297358485 UBRZRBPJKZSFBA-UHFFFAOYSA-N 494.349 3.890 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Cl)cc(Br)c1O 2313558979 OGQJVXCLIMPELW-UHFFFAOYSA-N 455.692 3.779 10 10 JHCE Cc1ccccc1Cn1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21 20207685 FJBVILLLVNQULV-KKVJOTPGSA-N 477.571 3.619 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=O)N=C2S1 20208017 XZIZQDBJJVZUAQ-FCASDSMHSA-N 492.941 3.679 10 10 JHCE O=C1/C(=C\c2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 23042573 KFJFVUTZRSXENX-XDJHFCHBSA-N 494.646 3.927 10 10 JHCE CC(C)Cn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 33592340 BSUDDZSIZRIFOD-OEAKJJBVSA-N 479.602 3.835 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 34201486 BUSAXHUVRGDBIU-FRKPEAEDSA-N 491.459 3.590 10 10 JHCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39989933 NIOIVEKBQBZRSV-ZHZULCJRSA-N 486.663 3.809 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)nn(-c4ccc(Cl)cc4)c3O)C2=O)cc1C 101124021 NSVAFBUYMQVUAM-ODLFYWEKSA-N 450.882 3.823 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3O)SC2=S)cc1 210698306 LXDVVBRGQILGFO-QGOAFFKASA-N 456.545 3.799 10 10 JHCE O=c1oc2c(CN3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)c(Cl)cc2c2c1CCCC2 1083103354 ABFNHEYFMSPZHB-GJZGRUSLSA-N 452.938 3.812 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)COc3cc(Cl)ccc3Cl)CC2)cc1 1862200898 YTKMKLHODDQIDV-UHFFFAOYSA-N 480.392 3.624 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864009602 BYQPORRRBFKWEZ-NRFANRHFSA-N 462.550 3.847 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864011053 DFFACECHZDXIEH-JOCHJYFZSA-N 480.540 3.647 10 10 JHCE CC(C)N(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(F)cc1 1868180871 YOEGOQMPUDWTKQ-UHFFFAOYSA-N 480.517 3.639 10 10 JHCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC(c4nc5c(s4)CCC5)CC3)cc2F)C[C@H](C)O1 2080390182 DNYXIAZZTPDMKT-ROUUACIJSA-N 486.657 3.880 10 10 JHCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(C)c3ccccc32)SC1=S 2314769954 XHZYZEZADOMGJT-GOSISDBHSA-N 452.557 3.929 10 10 JHCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1O 15046281 YDJPYUSMGJRRGS-MTUBTWAWSA-N 462.524 3.777 10 10 JHCE CCCCCCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 33452750 BEOQYAJJVZDJGB-LVZFUZTISA-N 499.706 3.926 10 10 JHCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1 33782408 IHPFCJFZGQJUBT-NKFKGCMQSA-N 474.513 3.631 10 10 JHCE CCSc1nnc(NC(=O)CCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)s1 39885913 HBYNIELAEJTYIZ-RAXLEYEMSA-N 466.635 3.889 10 10 JHCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 47152193 QLSBOHJPKLBXQH-PDGQHHTCSA-N 473.532 3.842 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 54310849 VBUQAGJJROMWCM-PZVJUEDKSA-N 471.579 3.670 10 10 JHCE CC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868837214 BYYXACPUZHJAGL-VGSWGCGISA-N 488.426 3.805 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(CCCN(C)C)C2=O)cc1 1873164297 UVIVEJXGUYWYQH-UHFFFAOYSA-N 462.619 3.977 10 10 JHCE CC(C)(C)OC(=O)N1CC[C@H](NCc2cc(Cl)cc(Br)c2O)[C@H](CO)CC1 1921743297 RIAPOCKVJYKVMN-LRDDRELGSA-N 463.800 3.906 10 10 JHCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)c1 2296849523 HYQOSKUCZBWOQQ-UHFFFAOYSA-N 481.555 3.780 10 10 JHCE CS(=O)(=O)Oc1ccc(C=C2C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1Cl 2297360508 OAHJWZRSZIDULI-UHFFFAOYSA-N 474.951 3.540 10 10 JHCE NS(=O)(=O)c1ccc(CN2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1 2323683622 OYVOSBVODKXJHX-UHFFFAOYSA-N 458.508 3.754 10 10 JHCE COc1cc(C=C2C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OCCN1CCOCC1 2332105263 MYIBCCASAMZKST-UHFFFAOYSA-N 455.942 3.866 10 10 JHCE COc1cc(C=C2C(=O)N(CC(C)C)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105291 QYNXAZUKFNQBQN-UHFFFAOYSA-N 463.578 3.692 10 10 JHCE COc1ccc(-c2ccc(C(=O)Nc3cc(OC)c(OC)cc3N3CCOCC3)o2)c([N+](=O)[O-])c1 20496368 SAPATBAHJRRDIN-UHFFFAOYSA-N 483.477 3.970 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(-c5ccc(F)cc5)nn4)CC3)CC2)cc1 22492389 FFXLWFOUGDHKSW-UHFFFAOYSA-N 475.568 3.857 10 10 JHCE CN(C)c1ccc(CN[C@H]2C[C@@H](C(=O)NCc3cccnc3)N(Cc3ccccc3Cl)C2)cc1 23362621 AGNYTOMGBKKDOT-OZXSUGGESA-N 478.040 3.850 10 10 JHCE Cc1nnc(-n2c(=O)cc(O)n(-c3ccccc3)c2=S)nc1/C=C\c1ccc(N(C)C)cc1 100253163 FTNZGXQDMUDPHX-KAMYIIQDSA-N 458.547 3.793 10 10 JHCE COc1cc(/C=C2\SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCCC(=O)O 210450227 LVBZMLQXCRPOBN-UNOMPAQXSA-N 455.492 3.590 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4c5ccccc5C[C@H]4C)n4ccccc34)CC2)cc1 1858243190 KOELABDIPJUKGR-HXUWFJFHSA-N 495.583 3.897 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)Cc4ccc(C)cc4)cn3)CC2)cc1 1858433293 ZLCDRFZMJBLNRX-UHFFFAOYSA-N 452.580 3.667 10 10 JHCE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1866114737 ZQYZIFHJZYVGQW-RRPNLBNLSA-N 475.637 3.625 10 10 JHCE Cc1ccc(-n2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)cc1 1866283596 QVHIDOWXUKFHBQ-RUZDIDTESA-N 473.621 3.872 10 10 JHCE CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867394042 KTOXAVNZLKMRQA-UIOOFZCWSA-N 496.652 3.622 10 10 JHCE COc1ccc(OCCNC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872883962 FOHVCLQGMQCKKQ-UHFFFAOYSA-N 475.589 3.835 10 10 JHCE COc1cc(CC2(C(=O)O)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc(O)c1O 1952236645 OYBRCFFGZFATAX-UHFFFAOYSA-N 475.497 3.985 10 10 JHCE COc1cc(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1O 2294093693 FWUIJYCOXMTLAD-UHFFFAOYSA-N 459.296 3.953 10 10 JHCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296663406 KRXPYMYTXNKEIY-IBGZPJMESA-N 481.624 3.928 10 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485.588 3.849 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc([N+](=O)[O-])c4)n(-c4ccccc4)n3)CC2)cc1 1869969951 KIGKWPPEERKJMB-UHFFFAOYSA-N 499.531 3.763 10 10 JHCE CC[C@@H](C)NC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870523615 DOCPRPGJKVHURR-JOCHJYFZSA-N 498.668 3.519 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc4nonc34)C2=O)cc1 2296885072 AJQUBQVXTNMDNV-UHFFFAOYSA-N 454.533 3.852 10 10 JHCE COC(=O)c1ccccc1NC=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2297499149 ZZHVVCSAIVAOTA-UHFFFAOYSA-N 458.561 3.847 10 10 JHCE Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CNCCOCCOCCOCCN=[N+]=[N-] 2325739731 LVWBLKATXVGKHP-UHFFFAOYSA-N 458.515 3.914 10 10 JHCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1cccc(F)c1 2332141185 KDVYCSWABILMJS-UHFFFAOYSA-N 451.332 3.849 10 10 JHCE CCN(CC)c1ccc(CN2C[C@@H](NCc3ccc(OC)c(C)c3C)C[C@H]2C(=O)NCCOC)cc1 20455281 YIKVWXXUVNFPQC-BDYUSTAISA-N 496.696 3.654 10 10 JHCE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 33474830 DOSLBEIRTWHCSF-JPOGYNCRSA-N 494.642 3.847 10 10 JHCE O=S(=O)(Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1cccc2nsnc12 35527531 UCIUDCPIXROPPK-UHFFFAOYSA-N 475.515 3.875 10 10 JHCE COc1cc(Br)cc([C@@H](c2ccccc2)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1O 95948662 QQMRQYDLHPOYTP-OPAMFIHVSA-N 488.426 3.537 10 10 JHCE CN(C)c1ccc(/C=C(\NC(=O)C(C)(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 209362417 YFGWDIFQYSKRNR-PDGQHHTCSA-N 455.471 3.711 10 10 JHCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(NC(=O)N2CCOCC2)cc1 586662353 WRDOWJVFERCCQH-UHFFFAOYSA-N 455.470 3.578 10 10 JHCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)sc2CCC(=O)O)cc1 1858034732 DPRJSJXIVGWWQI-UHFFFAOYSA-N 475.548 3.595 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4c(F)cccc4F)c4ccccn34)CC2)cc1 1858245329 PIRCZEYTXIKJMG-UHFFFAOYSA-N 491.498 3.836 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)ccc1O 1860085558 RNSMCCQORTVCMX-RCCKNPSSSA-N 455.605 3.949 10 10 JHCE CCCC[C@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868631229 KYCPVJQJHWIPMB-FQEVSTJZSA-N 466.538 3.581 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccco4)n(C(C)(C)C)n3)CC2)cc1 1869970317 INKFVUALPZBYKF-VAWYXSNFSA-N 450.543 3.613 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2296540706 IKJZOSHZSFGXNE-BQFCYCMXSA-N 498.674 3.865 10 10 JHCE CCOc1ccccc1NC(=O)CN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2296881518 MEGKYAXYKSOWKY-UHFFFAOYSA-N 488.587 3.951 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 2314508278 VBUQAGJJROMWCM-HSZRJFAPSA-N 471.579 3.670 10 10 JHCE O=C(CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1nccs1 2314827404 DGTARWWLCCHVAG-UHFFFAOYSA-N 470.395 3.841 10 10 JHCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 1797422 UHZKDCBTVCRJKE-BGBJRWHRSA-N 487.628 3.510 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)cc1C 11857637 XPJLGYXJBOIBDR-CYBMUJFWSA-N 459.549 3.672 10 10 JHCE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 35190339 XSKCNZCJLYICRP-BMRADRMJSA-N 460.625 3.559 10 10 JHCE Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)N1C[C@H](C(N)=O)Oc2ccccc21 96585326 VOZNGXZWDJYXHF-JPMGXVIASA-N 471.344 3.839 10 10 JHCE CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCC(=O)O)SC2=S)cc1 210434313 YKMVOBFXHVNABJ-PDGQHHTCSA-N 470.572 3.994 10 10 JHCE COc1ccc(N2CCN(c3cnn(-c4ccc(C(F)(F)F)cn4)c(=O)c3Cl)CC2)cc1 742408395 BACGNWLPZJURIB-UHFFFAOYSA-N 465.863 3.635 10 10 JHCE COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 1081086689 PWZPGJIFHHNSTQ-XSFVSMFZSA-N 473.441 3.849 10 10 JHCE C/C(=C\C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccccc1C(F)(F)F 1461461860 OQHMLYYAIAPDND-JQIJEIRASA-N 452.498 3.660 10 10 JHCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010536 NFGDAMUJOLIOLT-JOCHJYFZSA-N 492.576 3.711 10 10 JHCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864019463 ZIHAHACUPKXTAJ-OAQYLSRUSA-N 477.565 3.632 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030396 JAKWIRQHOPKEAR-HRAATJIYSA-N 468.598 3.856 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865035663 YTXHBEHMGOXDCF-QFIPXVFZSA-N 492.551 3.751 10 10 JHCE CCc1sc(NC(=O)C(C)(C)C(N)=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865787479 LIPUQHFBEIUCFZ-UHFFFAOYSA-N 453.358 3.977 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cccc(Br)c2)N2CCCCC2)cc1 1867403519 LDUZWSDUXYFMRU-JOCHJYFZSA-N 487.442 3.588 10 10 JHCE CCC[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868754248 UUIADMUWKHSSAU-JOCHJYFZSA-N 462.550 3.598 10 10 JHCE CCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871708926 GTSCRDSVRCMZGK-UHFFFAOYSA-N 490.656 3.959 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 1873169666 FPCAGVNZVOILIY-CJFMBICVSA-N 490.648 3.675 10 10 JHCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873545878 SMJPMJYBZMZQPA-WOJBJXKFSA-N 476.625 3.905 10 10 JHCE COc1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1 2297348226 VTHVDFVHSSHDAH-UHFFFAOYSA-N 451.366 3.669 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC(C)C)c(OC)c3)C2=O)cc1 2313548714 CQYHDEASRVHRRW-UHFFFAOYSA-N 489.322 3.920 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2314414606 FYZNBFHACJRWGP-INIZCTEOSA-N 472.636 3.985 10 10 JHCE COc1ccc(C=CC(=O)Oc2ccc(C=C3SC(=S)N(CCC(=O)O)C3=O)cc2)cc1 2314548588 BATQYYKZFBXKNO-UHFFFAOYSA-N 469.540 3.990 10 10 JHCE CC(/C=C1\SC(=S)N(CC(=O)Nc2cc(C(=O)O)ccc2C(=O)O)C1=O)=C\c1ccccc1 16922501 YDYAWZHNZBPSNH-LDFNIPPCSA-N 482.539 3.869 10 10 JHCE CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 104391952 PKFANFYBVVSIKW-WOJGMQOQSA-N 473.532 3.929 10 10 JHCE Nc1ccc(CS(=O)(=O)Nc2ccc(Br)c(I)c2)cc1 383589323 KMIXRTDITPTHJR-UHFFFAOYSA-N 467.126 3.578 10 10 JHCE CC(C)OC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858845637 XKLRAWCBDANMGE-UHFFFAOYSA-N 459.458 3.831 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019980 SQJHLGWNBQLKAV-HSZRJFAPSA-N 488.588 3.967 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865035222 OLEDINTZODWKFJ-JOCHJYFZSA-N 489.576 3.727 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2cccc3c(-c4cnn(C)c4)[nH]nc23)N2CCCCC2)cc1 1866137379 WEBITAIGWPIQDW-DEOSSOPVSA-N 471.609 3.986 10 10 JHCE COc1cc(C)c2[nH]cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866428820 KSILFWOZEMWKDF-DEOSSOPVSA-N 462.594 3.868 10 10 JHCE COC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870871620 SNHJWZDMUFSWAO-HSZRJFAPSA-N 463.534 3.935 10 10 JHCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC)C1=O 1873167532 LONQGFVZNHQSQH-UHFFFAOYSA-N 480.653 3.922 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc2c(c1)OCO2 1873895667 GETWIXLQMJZZKN-UHFFFAOYSA-N 464.481 3.942 10 10 JHCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCC(=O)O)C1=O 2297468631 ZFPDJUKMUHQXCM-UHFFFAOYSA-N 481.555 3.861 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OC 2313549068 MIYXSBKXVPATCQ-UHFFFAOYSA-N 475.295 3.531 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 15044840 HMGJHJMOYLZLCD-SDXDJHTJSA-N 464.609 3.915 10 10 JHCE CC(=O)NC1=NC(=O)/C(=C2\C(=O)N3c4c(cc(OC(=O)c5ccccc5)cc42)C(C)=CC3(C)C)S1 33532763 WXMQUGWAGHJNJT-XUTLUUPISA-N 487.537 3.925 10 10 JHCE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566356960 SJWMZPUNBFSSFU-JTHBVZDNSA-N 455.986 3.662 10 10 JHCE CCCC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861941755 ZKUOTKDSDOTEFW-XMMPIXPASA-N 497.636 3.669 10 10 JHCE CCCC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861955925 QORFAJGHSHZJKE-WXQAMHPUSA-N 480.565 3.640 10 10 JHCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864009974 HJOYTHUPIKLBDE-FQEVSTJZSA-N 480.952 3.863 10 10 JHCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864018884 TUQNTXUMXJGIIT-FQEVSTJZSA-N 480.952 3.532 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865035662 YTXHBEHMGOXDCF-JOCHJYFZSA-N 492.551 3.751 10 10 JHCE COc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(O)n2)cc1 1868164136 DWTOKYFRFDKAPG-UHFFFAOYSA-N 451.438 3.886 10 10 JHCE CCCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)c2ccccc21 2314717597 DRYHSTQOLDKFHN-UHFFFAOYSA-N 466.588 3.925 10 10 JHCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2323827139 AYHRIKWQMABVEH-AMIZOPFISA-N 460.371 3.864 10 10 JHCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 33492718 OXDYPILKHWDVOH-STZPCZCHSA-N 486.663 3.949 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1)C(=O)c1cccc(F)c1 35960556 MTMDCTRRHLSOHV-XMMPIXPASA-N 462.525 3.631 10 10 JHCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C[C@@H](O)COc2ccc(Br)cc2)cc1 256039182 WSOIJNCZPSKNJR-GGAORHGYSA-N 463.416 3.936 10 10 JHCE O=C(Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731402283 WSMFAKARYSKKEV-LEWJYISDSA-N 474.579 3.558 10 10 JHCE O=C1/C(=C\N2CCOCC2)SC(=S)N1c1cc(Br)cc(Br)c1 1084643395 ATDUIPOJPROQGU-XYOKQWHBSA-N 464.204 3.750 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cc(C(F)(F)F)ccc4n3C)cc2)CC1 1447710577 KULSADCSPDPKME-UHFFFAOYSA-N 458.484 3.796 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@H](C)C(=O)N4)c(C)s2)c1 1859574377 ZYVFDKODFHQXRY-NSHDSACASA-N 459.549 3.992 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCc3ccc(Cl)cc3)CC2)cc1 1861948324 MWTHZZPEHULBTM-HSZRJFAPSA-N 455.986 3.621 10 10 JHCE CCOc1ccc(/C=C/C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862158560 GFJBTBDQRLDFHI-GEJZUGHGSA-N 497.661 3.694 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCOc3ccccc3)c3ccccc3)CC2)cc1 1862267023 JLEJJZNDJSDOBG-MHZLTWQESA-N 473.573 3.670 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864016507 QUBSVYWVDWXPMU-OAQYLSRUSA-N 492.576 3.607 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865030967 VZTZGHFYASMVEX-ZOCZFRKYSA-N 468.598 3.856 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccccc3C)n4C)CC2)cc1 1873650327 IWHAVDXARVPGHK-UHFFFAOYSA-N 456.550 3.864 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C(=N)N21 2297345616 MHBPLQJGXMYCJE-UHFFFAOYSA-N 469.592 3.722 10 10 JHCE Cc1cccc(C)c1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 2297352570 BVHNHIBFAONARZ-UHFFFAOYSA-N 462.579 3.620 10 10 JHCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2297366341 JVEUYHPSUGQBPP-UHFFFAOYSA-N 487.424 3.538 10 10 JHCE Cc1nc(CN2C[C@H](OCc3ccccn3)CN(C/C=C/c3ccc(N(C)C)cc3)CC2=O)cs1 14749341 YMOUEILBJKIJHQ-HFPKFUSDSA-N 491.661 3.856 10 10 JHCE O=C([C@@H]1CN(C(=O)/C=C\c2c(Cl)nc3ccccn23)c2ccccc2O1)N1CCCCC1 96912123 BFPVAPVCNLIBCA-DUQGCJEPSA-N 450.926 3.808 10 10 JHCE COc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@@H]34)CC2)cc1 606680385 OTVCCKIGGSYSOC-MHZLTWQESA-N 496.567 3.549 10 10 JHCE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1)[C@@H]1C[C@H]1C 1562845853 XYKZBPPYAMCHMJ-VOIUYBSRSA-N 454.546 3.870 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 1859007344 FZRKQNYLXXVUBW-LHHJGKSTSA-N 499.976 3.772 10 10 JHCE COc1ccc(Cl)cc1C(=O)N[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867602364 SOIUIXYGEYRCPT-JPYJTQIMSA-N 487.044 3.876 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3cccs3)C2=O)cc1 1873165345 JBWMVHDMCPBYBR-UHFFFAOYSA-N 462.619 3.977 10 10 JHCE COc1ccc([C@@H](n2nc(C(F)(F)F)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079847643 WMNZGFLLOQXJHC-CYBMUJFWSA-N 495.239 3.709 10 10 JHCE CSc1ncc(CNS(=O)(=O)c2cc(Br)ccc2Br)s1 2284712126 LLNXFFQGULGCCT-UHFFFAOYSA-N 458.222 3.869 10 10 JHCE CCOc1cccc(N2C(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)c1 2296930237 JRSDOGDTIYRVIW-UHFFFAOYSA-N 474.380 3.745 10 10 JHCE O=C(CN1C(=O)C(=C2SC(=S)NC2=O)c2ccccc21)Nc1ccccc1C(F)(F)F 2314951847 LRSIXJXUHTYGNE-UHFFFAOYSA-N 463.462 3.550 10 10 JHCE COc1ccc(C(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1OC 25336479 FFQCIBWSIFXRQP-UHFFFAOYSA-N 461.562 3.752 10 10 JHCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Br)cc4)C3=O)o2)cc1 27548702 WMFHBXBFXNKUPC-LDADJPATSA-N 467.275 3.957 10 10 JHCE O=C(NN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S)c1ccccc1Cl 33377557 LSEZUCBATQTHNF-GIDUJCDVSA-N 463.880 3.523 10 10 JHCE COc1ccc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 33651885 PZKOPZAHOJZXFE-HYARGMPZSA-N 495.491 3.994 10 10 JHCE Cc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccc(N5CCOCC5)cc4)nc32)cc1 65294021 GFGXWYXCAFQWDC-UHFFFAOYSA-N 490.633 3.688 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OCC)cc3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 86076783 FGYMOXUXBBXOFP-UHFFFAOYSA-N 483.546 3.550 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 103040709 NURWZFKBXVAOQE-LICLKQGHSA-N 460.508 3.850 10 10 JHCE Cc1cc(N2CCN(C(=O)c3cc(C)n(-c4cccc(Br)c4)c3C)CC2)n2ncnc2n1 108410926 CQCZUVCAYSZCNY-UHFFFAOYSA-N 494.397 3.565 10 10 JHCE COc1ccc(N2CCCN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccco3)CC2)cc1 108427032 BOJMPDBXFOYATD-DEOSSOPVSA-N 459.546 3.594 10 10 JHCE N[C@H](c1cccs1)c1cc(I)cc(I)c1O 396458236 KYTNSMSAQPPCEH-JTQLQIEISA-N 457.074 3.711 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 1084400643 HNPCLSUVYDOQQC-DEOSSOPVSA-N 493.604 3.784 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3)n2CCCSc2nccs2)C1 1508188722 UEKHPZBLONUPMV-SFHVURJKSA-N 456.641 3.889 10 10 JHCE COc1ccc(NC(=O)c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)n3ccccc23)cc1 1858231488 LRYQNFNGCKYLAD-UHFFFAOYSA-N 485.544 3.566 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc4ccccc4[nH]3)c3ccccc3)CC2)cc1 1862075391 YPBVBNZNKBJCPB-SANMLTNESA-N 468.557 3.996 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864016845 YMYXGZZBWHHAGC-ZHRRBRCNSA-N 497.555 3.955 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864020022 ULIYFIZDINXYDE-JOCHJYFZSA-N 486.528 3.509 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864020532 DGFSWOZSFPXLSD-JOCHJYFZSA-N 494.567 3.705 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865032057 UVEZVOGDEDANFZ-QFIPXVFZSA-N 497.555 3.909 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)[C@H](C)Cc3ccc(F)cc3)CC2)cc1 1868764537 KAUQYOZULNHRIS-NTKDMRAZSA-N 487.641 3.600 10 10 JHCE CCCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870571998 IJKCQLBVZRYNGG-UHFFFAOYSA-N 497.636 3.844 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3cccs3)C2=O)cc1 1873169084 YENWGOMTKCLWEG-UHFFFAOYSA-N 471.586 3.991 10 10 JHCE O=C(O)CCCNC(=O)CCCCCN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S 2314836501 GDOSWXBZXDNQSN-UHFFFAOYSA-N 459.593 3.911 10 10 JHCE COc1ccc([C@@H](CN2C(=O)C(=Cc3ccc4c(c3)OCCO4)SC2=S)N(C)C)cc1 2323880173 ZGOVMMBKRBJPJA-GOSISDBHSA-N 456.589 3.971 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C=Cc3ccccc3Cl)CC2)cc1 2330459035 CGPRXDKRWSVVTI-HSZRJFAPSA-N 488.053 3.949 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O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 14551054 PNBCQCZXVBXRPU-YPIYEQTHSA-N 455.536 3.879 10 10 JHCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c2ccccc21 33441540 ZOEIHSPINFOOMN-UNOMPAQXSA-N 496.976 3.729 10 10 JHCE Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccccc1 33592344 ARMKJZLVAHSXMI-LFVJCYFKSA-N 477.586 3.632 10 10 JHCE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1C 62694331 IQHMGBLNPCQGLO-UHFFFAOYSA-N 465.619 3.900 10 10 JHCE CCCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5C(C)=CSC5=NC4=O)cc3)nc2s1 104709410 JTTISNKAULYSQZ-GMFWLFBISA-N 492.586 3.849 10 10 JHCE O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@](CC1CCCCC1)(C(=O)O)N[C@H]2c1ccccc1O 248006896 UGQJOEWVXGJAGN-MSZDEVHKSA-N 493.516 3.544 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)cc2C)C1 1705965502 WAAFKQUTOLMRCC-QFIPXVFZSA-N 452.647 3.738 10 10 JHCE COc1ccc(-c2[nH]c(=N)sc2CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1858127103 BERRIZBYYQVEKL-UHFFFAOYSA-N 452.580 3.521 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(O)cc(-c4cccc(Cl)c4)n3)CC2)cc1 1858513158 YIWXLZWKWYOEDE-UHFFFAOYSA-N 470.982 3.952 10 10 JHCE CC[C@H](C)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)C(=O)OC 1860345008 NEBPPNBQYLNZJO-XDHUDOTRSA-N 486.572 3.668 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865034242 RZYHPSRXXQOLQA-HNNXBMFYSA-N 468.476 3.532 10 10 JHCE Cc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867885786 MCDANSMBJKGUBM-SQJMNOBHSA-N 450.627 3.831 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CC(C)C)CC2)cc1 1870539267 DFNASWUWVBKQOW-UHFFFAOYSA-N 457.615 3.639 10 10 JHCE COc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870998901 UFHQSYXQFKNGQP-UHFFFAOYSA-N 490.585 3.908 10 10 JHCE C[C@H](CNCc1cc(Cl)cc(Br)c1O)N1CCN(C(=O)OC(C)(C)C)CC1 2192483236 FDKHBKYQZFVIII-CYBMUJFWSA-N 462.816 3.839 10 10 JHCE O=C(O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 2297328964 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3.728 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NCc4cccc(F)c4)[C@@H]3C2)cc1 104916256 CJNMPBRFZNTKOV-RSXGOPAZSA-N 490.535 3.926 10 10 JHCE Cc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(C)n1-c1ccc2c(c1)OCCO2 105805838 ZEQDLXSWHJELLQ-UHFFFAOYSA-N 459.424 3.651 10 10 JHCE CC(C)c1nc(NC(=O)CN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)n[nH]1 1318258094 MBYDXZIXOMBONY-KPKJPENVSA-N 466.386 3.531 10 10 JHCE CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 1676302091 WXQNGBKOMZXSSV-DEOSSOPVSA-N 458.672 3.953 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccco3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873164198 QIUXWXFOBAUCFR-UHFFFAOYSA-N 455.518 3.523 10 10 JHCE CCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccccc1 1873582206 CDIBOFZPUSEITM-UHFFFAOYSA-N 484.604 3.955 10 10 JHCE C[C@@H](Oc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)O 2297307054 TXZVJSOGFGMSTM-SNVBAGLBSA-N 465.314 3.677 10 10 JHCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C[C@H]1CCCO1 2313630124 KSPXYCGKTJCTNN-GOSISDBHSA-N 472.339 3.713 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)O)c(OC)c3)SC2=S)c(OC)c1 2314934034 XRLANUOYFBGWDR-LBPRGKRZSA-N 475.544 3.970 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3cccc(Cl)c3)CC2)cc1 2330364504 KFXVMYYLQSZNIL-QHCPKHFHSA-N 453.970 3.702 10 10 JHCE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cs1 11857659 UHTZCJAWCKQJDZ-CYBMUJFWSA-N 459.549 3.672 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 35518516 TWBCFYJPGYTIBT-RGEXLXHISA-N 485.587 3.753 10 10 JHCE C[C@@H]1CN([C@@H](CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)c2c(F)cccc2Cl)CCO1 209939687 BCJSXUTXUFLMNI-JLIGJLSDSA-N 488.003 3.907 10 10 JHCE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@H](C)CC)N[C@H]2c1cccc(OC)c1O 248159013 FOXHWKZLGGYSNM-REDOLFSWSA-N 494.588 3.845 10 10 JHCE CC(=O)N1CCN(Cc2ccc(NC(=O)c3cccc(-n4c(C)cc(C=O)c4C)c3)cc2)CC1 1152619574 BKINXEXVLRWAOX-UHFFFAOYSA-N 458.562 3.823 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@@H]1CCCN2CCCC[C@@H]12 1615156470 YWTKMCGHBNRFJE-CPJSRVTESA-N 495.627 3.955 10 10 JHCE COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)c1 1860085776 ZMPKPVKHJJZAKZ-RCCKNPSSSA-N 455.605 3.861 10 10 JHCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865029590 QVABBAXLBKAWFB-JOCHJYFZSA-N 476.577 3.916 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032837 MHRSJCZWZPQCCV-QFIPXVFZSA-N 474.561 3.612 10 10 JHCE CC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867333662 XDHVOBNVHPSEMY-RPBOFIJWSA-N 450.627 3.913 10 10 JHCE COc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1OC 1871343329 DJBSFLRXZFGUSW-UHFFFAOYSA-N 476.576 3.968 10 10 JHCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(O)c(Br)c2)C(=O)NC1=S 2293891600 NRHYJGRRQMGMJR-UHFFFAOYSA-N 451.729 3.948 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C(=N)N21 2297345032 JUCYYWOKKDKZCB-UHFFFAOYSA-N 466.953 3.705 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccccc4OC)c3)CC2)cc1 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CCCC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861934838 SXHFKRPFNBIARK-ZLWHBRAQSA-N 465.594 3.741 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCOc1cc(C)cc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864009221 CIZHXZDPBYJKHO-QHCPKHFHSA-N 492.576 3.519 10 10 JHCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013659 YPSKFCNETWLMHH-OAQYLSRUSA-N 480.540 3.653 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865034658 BJXJBBMSIPQHAF-FOIQADDNSA-N 454.571 3.608 10 10 JHCE CCCCOC(=O)COc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870761956 HGMFORFYUQJBKU-UHFFFAOYSA-N 485.625 3.557 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871717717 KTAKGUWKTRUGOG-UHFFFAOYSA-N 463.586 3.536 10 10 JHCE COc1cc(OC)c(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Br 2297560387 RAEFWIFVXIQCPU-UHFFFAOYSA-N 461.337 3.606 10 10 JHCE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)C2=O)cc1OC 2314832364 FXFYNMPYPVONHM-OAHLLOKOSA-N 488.974 3.891 10 10 JHCE COc1cc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 20683311 OUKRZUALJHUNSX-IECBHUPTSA-N 463.578 3.927 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccco2)c(OS(=O)(=O)CC)c1 36008709 XCFVVBDCTGZALR-HXUWFJFHSA-N 464.584 3.676 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(OC)c3OC)c3ccco3)CC2)cc1 38598181 QILSXKPAFCDPLT-QFIPXVFZSA-N 465.550 3.599 10 10 JHCE Cc1c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(N2C[C@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 39989567 YGNDJELTMZJLEX-SKKKSHNUSA-N 458.653 3.905 10 10 JHCE CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCCSc2nccs2)[C@@H](C)C1 1690854237 YUECIMVAHIQAEL-INIZCTEOSA-N 474.631 3.704 10 10 JHCE CC[C@@H](C)NC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826512 FMFXJDNUVWQJKB-XWAFYUISSA-N 459.593 3.622 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccccc3C)CC2)cc1 1861922200 TZHARZMBUOZAKF-SANMLTNESA-N 457.574 3.694 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862213081 WSDQFNWAXKXBDI-CJFMBICVSA-N 497.661 3.836 10 10 JHCE CCCCn1cc(OCCOC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870539692 YCAXREOLZWMALN-UHFFFAOYSA-N 457.615 3.783 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 1873169669 FPCAGVNZVOILIY-NBGIEHNGSA-N 490.648 3.675 10 10 JHCE CC[C@@](C)(NC(=O)C=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330359092 MWVSPHYJKSIFGH-RUZDIDTESA-N 455.986 3.996 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 6580997 UVBVMFQXYVFNNR-NBVRZTHBSA-N 466.588 3.544 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 6975161 WYDALEWSLMNXDW-WOJGMQOQSA-N 470.528 3.734 10 10 JHCE Cc1cc(N)c(-n2cc3c(c2-c2ccc(Br)cc2)c(=O)n(C)c(=O)n3C)cc1C 8613994 IPAMOTSRKIXWPG-UHFFFAOYSA-N 453.340 3.656 10 10 JHCE COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1C 11857734 LUORDTUEQIYEPI-CYBMUJFWSA-N 459.549 3.956 10 10 JHCE Cc1csc(SCc2ccc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)cc2)n1 106264497 NYJDRHOBDHCBPV-UHFFFAOYSA-N 452.605 3.610 10 10 JHCE COc1ccc(N2CCN(C(=O)CCc3nc(O)c4c5c(sc4n3)CCCC5)CC2)cc1 253613539 FTBVYRJXAKGMBU-UHFFFAOYSA-N 452.580 3.566 10 10 JHCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526469659 RTYLKPLKHPEOAO-QHCPKHFHSA-N 477.469 3.959 10 10 JHCE COc1ccc(C)cc1S(=O)(=O)N(C(=O)C1CC1)c1cccc2c1C(=O)c1ccccc1C2=O 586276550 FVHNJDNXOCDDDA-UHFFFAOYSA-N 475.522 3.911 10 10 JHCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(C)c1 727247467 XZCTYQQUPCIRFC-UHFFFAOYSA-N 457.533 3.591 10 10 JHCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@@H](C)C(=O)N3)cs1 1859573627 OWEATQLYBQXCQL-CYBMUJFWSA-N 498.586 3.802 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)/C=C/c4ccco4)CC3)cccc21 1860600929 JYQZZLLVDXSILI-ZHACJKMWSA-N 454.482 3.946 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCCOC(C)C)sc(C)c1-c1ccc(F)cc1 1860759321 TYSUKBHBWYBDHC-UHFFFAOYSA-N 450.532 3.909 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012413 ZJGAVJTWXCSHCA-QHCPKHFHSA-N 492.551 3.934 10 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COC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 2297347930 UMIRBTGYOATTSN-UHFFFAOYSA-N 492.553 3.944 10 10 JHCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OC)c(OC)c4)n3)cc21 11857665 WEQQWUDDIHNPSW-UHFFFAOYSA-N 489.575 3.764 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2ccccc2O)SC1=S 210752817 YXHXBQKJQIKEEW-OBGWFSINSA-N 464.609 3.915 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864013596 DJAAAOWCOIHYFX-JOCHJYFZSA-N 476.577 3.895 10 10 JHCE COc1cccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 2297576584 PWZPGJIFHHNSTQ-UHFFFAOYSA-N 473.441 3.849 10 10 JHCE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(OC)c(OC)c4)SC3=S)C2=O)cc1 2314832489 HZZDXOZIHIRNDN-KRWDZBQOSA-N 498.582 3.636 10 10 JHCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1 59858038 PCUGJNHRAJNOJI-NDENLUEZSA-N 461.434 3.913 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCCC(C)C 59861063 QKDLLNZBLNSLKV-UYRXBGFRSA-N 481.505 3.733 10 10 JHCE Cc1ccc(Oc2nccnc2SCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 65111026 WRBWBBXOPHWWDY-UHFFFAOYSA-N 450.564 3.822 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(C(=O)O)cc1 214754885 LUKRGUUGFJFGNH-LFIBNONCSA-N 457.489 3.523 10 10 JHCE CCc1ccc(S(=O)(=O)N(CCN(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586239766 LUSBZIPVUXSICQ-UHFFFAOYSA-N 462.571 3.781 10 10 JHCE O=C(O)CCCNC(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586698633 GEZCCXGJOQIWCL-UHFFFAOYSA-N 471.469 3.701 10 10 JHCE O=C(COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccn1 1858862507 HKWJHQFHRFYBBR-UHFFFAOYSA-N 493.479 3.914 10 10 JHCE CC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862216448 NQKLFSHGPBVQHR-CPJSRVTESA-N 467.610 3.830 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCOCC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867977377 NBVBXBAOKWBXTF-UHFFFAOYSA-N 465.985 3.969 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871545443 RUOBVJSNVAVADP-UHFFFAOYSA-N 499.594 3.588 10 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COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 35520504 IYMOEIGNDSGDNQ-QGOAFFKASA-N 484.578 3.683 10 10 JHCE O=C(CSc1nnc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)s1)Nc1ccccc1 54201828 URHUSWXSDGCVOJ-NXVVXOECSA-N 494.583 3.674 10 10 JHCE CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)c1O 1657146830 SCVOHHRBWDGIRX-UHFFFAOYSA-N 451.748 3.969 10 10 JHCE CCCC[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862077894 VQTUFZDABRSNLO-VWLOTQADSA-N 489.620 3.893 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862281165 JGYDSMWKLQEMSW-QHCPKHFHSA-N 467.635 3.857 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4CO)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986682 MXLDGKSUKXIURJ-QFIPXVFZSA-N 463.557 3.579 10 10 JHCE CC[C@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868858113 VNIZTHXNMAPZKJ-LOSJGSFVSA-N 467.610 3.687 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccco3)CC2)cc1 1870436851 IUQSENDOIJYMAJ-UHFFFAOYSA-N 451.567 3.855 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O 2294199277 LNANDHMVIZYOMW-UHFFFAOYSA-N 463.490 3.763 10 10 JHCE CC1CCN(C(=O)Cn2cc(C=C3C(=O)NC(=O)N(c4ccccc4F)C3=O)c3ccccc32)CC1 2297310000 NNJAMJNDPYWQEI-UHFFFAOYSA-N 488.519 3.705 10 10 JHCE Cc1nn(-c2ccccc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 2313547866 DWGDYTIBPVTYHS-UHFFFAOYSA-N 480.322 3.830 10 10 JHCE CCOc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@H]2C=CC[C@H]21 14545472 QVKDORBORNEXDE-DFIYOIEZSA-N 453.608 3.848 10 10 JHCE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 102435704 YJSDSYFAUUAGHT-AOHITCTBSA-N 460.650 3.556 10 10 JHCE CCCCCC(=O)NC1CCN(c2cc([N+](=O)[O-])c(OC)c(Br)c2[N+](=O)[O-])CC1 748306264 CMOBNZPXGVIQOP-UHFFFAOYSA-N 473.324 3.939 10 10 JHCE COC(=O)[C@H](CC(C)C)NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1860344945 JOGMYKCVIXEWRQ-QFIPXVFZSA-N 486.572 3.668 10 10 JHCE CCN(CC)C(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826126 ABDTYLIEHYGGOC-LDADJPATSA-N 459.593 3.576 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc(F)c3)CC2)cc1 1862071167 UZRVFWYOOWJHPA-RUZDIDTESA-N 461.537 3.524 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccnc1)[C@H]2c1ccc(O)c(O)c1 1864015699 DAFHFGBMSKKQOJ-QFIPXVFZSA-N 497.555 3.777 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018371 JPTSGXSWZCXNNI-SZNDQCEHSA-N 480.540 3.653 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865030807 RMICDNHHKZGFLL-YWZLYKJASA-N 454.571 3.752 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3C(=O)OC)C2)sc2c1CC[C@@H](C)C2 1865924341 RHFJSLICMXCMOO-CABCVRRESA-N 484.574 3.828 10 10 JHCE CC(C)OC(=O)COc1cn(CCOCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870911337 LCGVQEMZMJNPGV-UHFFFAOYSA-N 495.576 3.543 10 10 JHCE COC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 33333432 KOWFRUBMSHYORP-GZTJUZNOSA-N 466.833 3.546 10 10 JHCE O=C(Cn1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21)NC[C@H]1CCCO1 33708606 WVADNXANAVHIPR-UOIFGXKSSA-N 478.549 3.571 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(N3CCN(C)CC3)C2=O)cc1 35518872 GDGRGTQKOKKNPX-CJLVFECKSA-N 491.642 3.912 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310987 IMGQSJWWIFQMNC-QHCPKHFHSA-N 458.624 3.744 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3csc(C)n3)n2CCCSc2nccs2)C1 1508198409 SJOMJPMHXOAZRC-KRWDZBQOSA-N 491.712 3.577 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(C)O)[C@H](C)C1 1596166465 TXDMVLOPVAREMP-LJQANCHMSA-N 464.614 3.571 10 10 JHCE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705945864 UEWARZQESZORPO-SFHVURJKSA-N 461.607 3.566 10 10 JHCE O=C1c2ccccc2C(=O)N1CCc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1 1859572063 HOWNTZIJOCUKMC-UHFFFAOYSA-N 490.566 3.845 10 10 JHCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012890 LPZPUUCFEVNLFG-JOCHJYFZSA-N 494.567 3.901 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864017557 OXEKROSBOSCNMM-QFIPXVFZSA-N 486.528 3.758 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019236 WYPCONVMKDUFEU-SPLOXXLWSA-N 480.540 3.653 10 10 JHCE CCCCNC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870518699 KHFHMQQPTHQLEA-UHFFFAOYSA-N 498.668 3.520 10 10 JHCE CCN(CC)C(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871083063 BKLURIUDPNGCBW-FQEVSTJZSA-N 478.593 3.832 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc5n[nH]cc5c4)[nH]3)CC2)cc1 1871630467 RFGMBXIEUBAXJG-UHFFFAOYSA-N 487.612 3.707 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Oc2ccc3nncn3n2)c1 1874179206 SXYYKRYUZRAQJX-UHFFFAOYSA-N 461.437 3.944 10 10 JHCE Cc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C(N)=O)c2I)c(O)c1 2078994161 MCFYBDWFLRXAEC-QGZVFWFLSA-N 451.308 3.868 10 10 JHCE COc1ccccc1N1C(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)NC1=S 2294244450 KKHGOGSOYPFGHS-UHFFFAOYSA-N 462.483 3.793 10 10 JHCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1Cl 2297352693 MOTNJZFELALEFG-UHFFFAOYSA-N 498.996 3.665 10 10 JHCE CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(C(=O)N2CCOCC2)cc1 2297511231 TVVGSPWJMKWFCY-UHFFFAOYSA-N 469.339 3.640 10 10 JHCE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 33629160 FDBIDXHECMRYCJ-FOWTUZBSSA-N 474.608 3.609 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(N3CCN(C)CC3)C2=O)cc1 35518874 GDGRGTQKOKKNPX-JWGURIENSA-N 491.642 3.912 10 10 JHCE Cc1ccc(C(=O)CN(c2cccc3c2C(=O)c2ccccc2C3=O)S(=O)(=O)N(C)C)cc1C 586234151 NCNXRCIUXYGIQL-UHFFFAOYSA-N 476.554 3.575 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)cccc21 1860589561 PKEOSOFBPRXTHJ-UHFFFAOYSA-N 468.509 3.718 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007875 WQXJQLNKKABPBC-XMMPIXPASA-N 498.539 3.612 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864018801 QYYMKIAEEFNPLE-WAIKUNEKSA-N 497.555 3.813 10 10 JHCE CC(=O)Nc1ccc2[nH]c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c1 1866519390 CDWMJFDYJMCXAA-VWLOTQADSA-N 475.593 3.510 10 10 JHCE CC(=O)Nc1cccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638334 GXIJKLNFKZBUSV-VWLOTQADSA-N 493.652 3.563 10 10 JHCE CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(N)(=O)=O)cc1 2313682225 YACFOHYBBQFMJP-UHFFFAOYSA-N 455.565 3.833 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33436360 ZPTCGIWWBZNDNI-NBVRZTHBSA-N 466.588 3.544 10 10 JHCE CCOc1cc(/C=C2\C(=O)NN(c3cccc(F)c3)C2=O)ccc1OC(=O)c1cccs1 33462057 PAKMYNHOWDHSEA-GZTJUZNOSA-N 452.463 3.967 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nnc(CCc4nc5ccccc5s4)o3)CC2)cc1 56903061 QHOIDXUMVIUNSM-UHFFFAOYSA-N 495.630 3.914 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCCC(=O)O 210465865 AFCBQHARTWWFQZ-UYRXBGFRSA-N 486.571 3.793 10 10 JHCE COCCOc1ccc(F)cc1NC(=O)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C 727611385 RMSNXMUTUAKUNV-UHFFFAOYSA-N 453.514 3.556 10 10 JHCE CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H](C)Cc1ccc(OC)cc1 731403570 OWERMGPXGNUALI-KNQAVFIVSA-N 452.599 3.560 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(Br)ncc3Br)CC2)cc1 1356447281 RLWFBDUIGFIORQ-UHFFFAOYSA-N 455.150 3.578 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](C)N(C)C)C1 1595967556 AVSOAVDFWGEGKV-OFNKIYASSA-N 477.657 3.607 10 10 JHCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc2c(c1)OCO2 1857996929 OZBNKKYQRJQAPD-UHFFFAOYSA-N 459.455 3.839 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864009280 DIRSNDUDYKFTQR-NRFANRHFSA-N 452.555 3.714 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864015887 FRJVYWWJPWDDIA-HXUWFJFHSA-N 460.534 3.642 10 10 JHCE COc1cc(/C=C2\C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665087 APDAAFDAOCZMNM-HKWRFOASSA-N 489.494 3.750 10 10 JHCE CC(=O)Nc1cccc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867638332 GXIJKLNFKZBUSV-RUZDIDTESA-N 493.652 3.563 10 10 JHCE COc1ccc([C@H](C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868880952 NDTOGFVZQMMVRA-RXFWQSSRSA-N 479.621 3.831 10 10 JHCE C[C@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1cc(O)ccc1O 2084896243 FXPMWZNIWUKASZ-HNNXBMFYSA-N 453.580 3.947 10 10 JHCE CCOc1cccc(CNC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1O 2272025004 VBSITKVGPQHIII-UHFFFAOYSA-N 465.591 3.737 10 10 JHCE Cc1ccccc1C(=O)NN1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S 2297298180 GHCVROXOOCAGQB-UHFFFAOYSA-N 488.388 3.650 10 10 JHCE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC)C3=O)c3ccccc32)cc1 33333861 GEEFJCSIKGSDRR-FMQUCBEESA-N 467.572 3.662 10 10 JHCE Cc1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(N2CCCCCC2)n(C)c(=O)c1C#N 33459685 TUNATIGVFMQGBC-XDHOZWIPSA-N 468.604 3.940 10 10 JHCE O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 35516703 OIDXKSRLYGMCMR-RGEXLXHISA-N 464.528 3.861 10 10 JHCE COc1ccc(N2CCN(C(=O)COc3cc(C)c4c(C)nn(-c5ccccc5)c4n3)CC2)cc1 46016793 NUGGHNSMHKWHMW-UHFFFAOYSA-N 471.561 3.774 10 10 JHCE CCc1cc(Cc2ccc(N(C[C@@H]3CO3)C[C@@H]3CO3)c(CC)c2)ccc1N(C[C@@H]1CO1)C[C@@H]1CO1 95722064 PMPLQTWAQNSOSY-FPCALVHFSA-N 478.633 3.610 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N3CCC(Nc4ccccc4Cl)CC3)CC2)cc1 1318152663 BMGGHZOWJIRBQJ-UHFFFAOYSA-N 472.033 3.757 10 10 JHCE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1705618524 KJSCAJPEDDTTSJ-NFBKMPQASA-N 469.605 3.680 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Cc4cccs4)CC3)cccc21 1860588280 NUZFPSNBJSEBQQ-UHFFFAOYSA-N 458.539 3.943 10 10 JHCE CCN(CC)c1ccc(CNCCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 1860709585 ZBIFUIRTGUENDE-UHFFFAOYSA-N 496.637 3.550 10 10 JHCE CC[C@@](C)(NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862219313 QRIGMDRPJWCIHB-IQGLISFBSA-N 474.001 3.750 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864008925 VCAZJZUDBJICIV-HXUWFJFHSA-N 468.941 3.856 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865025787 CWNMQCGWRZCLSR-QFIPXVFZSA-N 462.550 3.935 10 10 JHCE COC(=O)c1c(NC(=O)CN2C(=O)COc3ccccc3C2=O)sc(C)c1-c1ccc(C)cc1 1866041455 OZIJESCTJFOLPC-UHFFFAOYSA-N 478.526 3.818 10 10 JHCE COc1ccc(Cl)c2c(=O)cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)[nH]c12 1866535660 QGJRQAYXEZZZKJ-NRFANRHFSA-N 465.941 3.509 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3c[nH]c4ccccc34)C(C)C)CC2)cc1 1868582016 BPUSRKYQARSBKH-SANMLTNESA-N 462.594 3.599 10 10 JHCE CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870904190 JYTSSCYXFDAQEV-UHFFFAOYSA-N 451.523 3.792 10 10 JHCE CCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)c2cc(Br)ccc21 2314765003 RGBRTKOJHZSNSN-UHFFFAOYSA-N 488.388 3.732 10 10 JHCE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 20154761 OXKMSBAICMZDQC-WMYZHHRISA-N 470.507 3.993 10 10 JHCE Cc1ccc(Cn2cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c3ccccc32)cc1 96459707 DOGRCLTVEHAXGP-KKVJOTPGSA-N 477.571 3.619 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCCC(=O)O 210465816 DYKUEPNWKMBYOS-UYRXBGFRSA-N 486.571 3.793 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3c(C)nn(Cc4ccc(C)cc4)c3Cl)CC2)cc1 742927060 GSZVLOXLZDCKKC-UHFFFAOYSA-N 482.028 3.762 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCN(C)C(C)C)[C@@H](C)C1 1286870896 FCLHQNKZHSZUFH-NRFANRHFSA-N 477.657 3.750 10 10 JHCE C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1538661993 KNFYDRKELXUXTP-FYWRMAATSA-N 453.391 3.948 10 10 JHCE C=CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C(N)=O)C1 1705940880 RTMKFHCWVHYVMN-LJQANCHMSA-N 450.612 3.583 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(Cc4ccccc4)c(O)n3)CC2)cc1 1858517474 DIJSRXONXPGBIV-UHFFFAOYSA-N 464.591 3.531 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)C(C)(C)C)CC2)cc1 1862308996 CHSBEALVHVBNOK-HSZRJFAPSA-N 469.651 3.808 10 10 JHCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864019462 ZIHAHACUPKXTAJ-NRFANRHFSA-N 477.565 3.632 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865027804 LLJTUZCBXCQXRD-FQEVSTJZSA-N 468.941 3.808 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033605 DPIWKXRDJBXEIN-XNJGSVPQSA-N 494.514 3.922 10 10 JHCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)C3CC3)CC2)n1 1868275910 YGULIGPAKGCTCI-UHFFFAOYSA-N 481.556 3.617 10 10 JHCE CCCOc1cn(CCCOC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870657740 QMKFWRASOKQNAM-UHFFFAOYSA-N 457.615 3.783 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873164380 ZAJUZJJNNCZVQK-UHFFFAOYSA-N 463.541 3.954 10 10 JHCE CC[C@H](C)N1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296546117 OHTUEZHHJSLYBA-MAUKXSAKSA-N 480.615 3.840 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc(Br)c1OC 2314761689 WZBJTJBBQBNCHS-UHFFFAOYSA-N 460.371 3.922 10 10 JHCE CCOC(=O)N1CCC(N2C(=O)C(=Cc3c(C)nc4scc(C)n34)SC2=S)CC1 2323858371 NVKSWHRMBVKDRH-UHFFFAOYSA-N 450.611 3.835 10 10 JHCE O=C(O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc1Cl 96475816 WMFJPZJPUAAIEP-JYOAFUTRSA-N 479.228 3.692 10 10 JHCE Cc1cccc2cc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCOCC3)nc12 208279181 BQQSKGXTLNHYHR-UIMCMNAESA-N 455.605 3.760 10 10 JHCE Cn1c(=O)oc2cc(S(=O)(=O)N(CCc3c[nH]c4ccccc34)c3ccc(N)cc3)ccc21 1857992465 SYRRDCJFNZKZRV-UHFFFAOYSA-N 462.531 3.633 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4cccc(OC)c4)c(O)n3)CC2)cc1 1858516151 RANIXNSBUYQZHD-UHFFFAOYSA-N 480.590 3.616 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(CC)s2)sc(C)c1-c1ccc(OCC)cc1 1860765487 MUCCLJUUGGTQLX-UHFFFAOYSA-N 488.591 3.712 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccc(OCC(C)C)c3)CC2)cc1 1862255289 BSAARTVZORKYCU-VWLOTQADSA-N 465.594 3.683 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864013885 IBOOYNBCSORHQG-NYHFZMIOSA-N 492.576 3.847 10 10 JHCE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864016849 YPCTYQQDHNVIAP-QFIPXVFZSA-N 497.555 3.812 10 10 JHCE CC(C)(C)OC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870869198 XHDCXIPETXHQIU-UHFFFAOYSA-N 465.550 3.917 10 10 JHCE CC(C)(C)OC(=O)NCC1(NCc2cc3c(cc2O)OCO3)CCN(Cc2ccccc2)CC1 2187390380 AVMLTCWUFJTYLD-UHFFFAOYSA-N 469.582 3.770 10 10 JHCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2294732808 UWBNVQQVMRYCQP-UHFFFAOYSA-N 491.459 3.590 10 10 JHCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2CCOCC2)cc1 2297353288 CBJGHIOHHJWWNL-UHFFFAOYSA-N 462.358 3.661 10 10 JHCE Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314414137 QMGHSPLXHDRFQM-MRXNPFEDSA-N 470.620 3.738 10 10 JHCE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCCC2)C1=O 102704628 XUIAEMSBVNRREY-BRFSQIRFSA-N 472.636 3.720 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)cc1 210698664 RNDBFBQRJNHOPJ-WOJGMQOQSA-N 472.544 3.505 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3ccc(OC)cc3OC)c3ccco3)CC2)cc1 38620091 CWAFYKSGZHPDSD-HSZRJFAPSA-N 480.565 3.990 10 10 JHCE NC(=O)[C@@H]1CN(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)c2ccccc2O1 96585346 BNZAJKQOZGQDNX-SQZREULQSA-N 456.527 3.894 10 10 JHCE CC(=O)NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1CCCOC(C)C 1651632372 LAGKLJHKBMYOLQ-UHFFFAOYSA-N 454.390 3.883 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cccc(OC)c4)c4ccccn34)CC2)cc1 1858231609 RKDMUUGNUYBTRP-UHFFFAOYSA-N 485.544 3.566 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3ccc(Br)cc3[nH]2)c2nccn2C)cc1 1866171485 RZTZLPBWBLMYCX-OAQYLSRUSA-N 480.366 3.610 10 10 JHCE CCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCCOC 1873588822 FDOSOQXMRAVDGF-UHFFFAOYSA-N 494.640 3.723 10 10 JHCE COc1ccc(C)cc1NC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 1873898424 GJQNMXUQULCXJT-UHFFFAOYSA-N 487.464 3.882 10 10 JHCE CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017455 QHFOLZKDILZHLH-DEOSSOPVSA-N 496.523 3.593 10 10 JHCE CCOC(=O)c1c(C2CC2)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2080002276 VMACMHRVEIVREV-JTQLQIEISA-N 456.280 3.865 10 10 JHCE CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2180669758 FXWFQFLGYQRDRR-SFTDATJTSA-N 472.582 3.579 10 10 JHCE CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 2313557369 BHMRPWMAINWVBU-UHFFFAOYSA-N 461.449 3.825 10 10 JHCE CN1C(=O)C(=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c2cc(Br)ccc21 2314767001 CJFJHWWDSGMYBE-OAHLLOKOSA-N 489.372 3.823 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1 9526972 FHKVKHPODAWQFR-XMMPIXPASA-N 481.618 3.852 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)ccc1O[C@@H](C)C(=O)O 33447200 WWUJZDXFMPDQNS-LWHXSLQUSA-N 460.895 3.872 10 10 JHCE O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(C(=O)C(=O)c2ccccc2)cc1 40845984 XNRLMOGDGRVVRR-UHFFFAOYSA-N 486.509 3.595 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 54454463 WRTLOYKXJAOUPL-NRFANRHFSA-N 465.015 3.781 10 10 JHCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccn1-c1ccc(C(=O)O)cc1 59315960 LGOKCPVJFFWIGN-PDGQHHTCSA-N 496.342 3.769 10 10 JHCE CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C(=O)OC)cc2C)nc1-c1ccccc1 727245209 WQWBAMHJOLOGAZ-UHFFFAOYSA-N 460.533 3.883 10 10 JHCE CCCOc1ccc(CC(=O)N[C@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861900747 YMXCXRLQWMUWJQ-XMMPIXPASA-N 467.610 3.579 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)cc1 2294279926 HAEGUWWSAALBBL-UHFFFAOYSA-N 476.514 3.842 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 2296012229 KYNALSARYXNPCY-UHFFFAOYSA-N 459.505 3.548 10 10 JHCE COc1cc(C=C2C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc(OC)c1OC 2296398177 YXPCHPHBUMVNEK-UHFFFAOYSA-N 466.519 3.719 10 10 JHCE Cc1ccccc1Cn1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c2ccccc21 2297345081 PFAUWHVKIURNQM-UHFFFAOYSA-N 477.571 3.619 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1C(=O)O 2297363138 DSRVKNPGJKZGQZ-UHFFFAOYSA-N 472.453 3.639 10 10 JHCE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c([N+](=O)[O-])cc1OC 2313540652 NBXBLTLEXCRQCI-UHFFFAOYSA-N 482.301 3.750 10 10 JHCE Cc1c(N2C(=O)/C(=C\c3cccc(OCCC(=O)O)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 16908300 DUPGVDNAJOQCJP-XMHGGMMESA-N 495.582 3.744 10 10 JHCE O=C(O)CCCC(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O 39899520 MVLPONVHCALFJZ-UHFFFAOYSA-N 456.454 3.908 10 10 JHCE CN1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cc(Br)ccc1O)N2 65298143 UWNIVYIXUXFUIV-GOSISDBHSA-N 458.356 3.829 10 10 JHCE biogenic COc1cc(/C=C2\SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1OCCC(=O)O 210446385 UTAALMJDNSPQKF-UYRXBGFRSA-N 459.545 3.698 10 10 JHCE Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cc1C 728836882 HGTHIMYPCCRRDE-UHFFFAOYSA-N 471.545 3.581 10 10 JHCE CC(=O)N1CCC[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)(F)F)cc2)c1C 917243077 SNAQFIVKUXRAGO-LJQANCHMSA-N 452.429 3.730 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCCOc3c(C)cccc3C)CC2)cc1 1862210793 SSGGQVVKNCYTJA-VWLOTQADSA-N 479.621 3.811 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864013841 HFQPLMQTWRSFGS-QFIPXVFZSA-N 476.577 3.914 10 10 JHCE COc1cc2[nH]cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2cc1OC 1866456552 IMOWBJFBMQXUMI-QHCPKHFHSA-N 478.593 3.568 10 10 JHCE CCCc1nc(N2CCC(C(=O)OCC)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867974724 WYOXNRMQWHLRBP-UHFFFAOYSA-N 467.614 3.544 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(CO)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986498 DVYFWJKDGFAURY-UHFFFAOYSA-N 477.584 3.827 10 10 JHCE CCCN(CCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CCOC 1873557761 WYRFKQCECWGDJP-UHFFFAOYSA-N 494.640 3.675 10 10 JHCE C[C@@H]1CC(C)(C)N2C(=O)/C(=C3\SC(=S)NC3=O)c3cc(I)cc1c32 2185889268 NUCFQYMZJJIAAY-NJNPKNAVSA-N 470.357 3.783 10 10 JHCE COCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541862 BOIXKDCOXJAIRB-CALCHBBNSA-N 486.663 3.723 10 10 JHCE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)c1 2296551080 QHVKBXQRVGAICY-UHFFFAOYSA-N 462.483 3.875 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2ccc(CC(=O)O)cc2)C1=O)C(=O)O 2314926059 ABHOQJPXOCAVPU-MRXNPFEDSA-N 457.529 3.962 10 10 JHCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)o1 20356408 QRAPCEPHPOZRTD-JUVBEIPNSA-N 450.480 3.836 10 10 JHCE CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1 33887706 ZBBZIZNJQCXFOM-CAPFRKAQSA-N 497.690 3.679 10 10 JHCE CN(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3cc(O)nc4ccccc34)C2=O)cc1 229735632 DLYSMZUHVLQFDH-WQRHYEAKSA-N 450.545 3.553 10 10 JHCE O=C1CCN(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)CC1 586665969 VESQEDIESFZSPO-UHFFFAOYSA-N 467.481 3.911 10 10 JHCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)c1cc(I)cc(I)c1O 701303466 PBXAWQZTGRISAR-QMMMGPOBSA-N 498.062 3.516 10 10 JHCE C[C@@H]1CCCN(c2ccc(CNC(=O)NCCS(=O)(=O)c3ccccc3)cc2Cl)C1 799994403 ADMHXWWBXKHESU-QGZVFWFLSA-N 450.004 3.849 10 10 JHCE Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 1084183450 UVAWYXMFTZPOPY-NDENLUEZSA-N 461.449 3.906 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030668 OKEMOBWDIJDFTD-AOMKIAJQSA-N 489.576 3.584 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)OCc3ccccc3)CC2)cc1 1866334242 KRWVXTVNPVRACX-AREMUKBSSA-N 473.573 3.882 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4ccco4)on3)c3ccccc3)CC2)cc1 1868632425 TWSHMKGSHJLXNW-RUZDIDTESA-N 486.528 3.763 10 10 JHCE CCCCN(C)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1873556564 XCVNQMOYQJRNJJ-UHFFFAOYSA-N 494.640 3.675 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCCC3)CC2)cc1 1874642610 JKPZOCFYCZXJKG-AREMUKBSSA-N 474.605 3.743 10 10 JHCE COc1ccc(N2CCN(C(=O)C=CC(=O)N[C@H](C)c3ccc(OC(F)(F)F)cc3)CC2)cc1 2041167320 FWRFHTJJKWPVHG-QGZVFWFLSA-N 477.483 3.676 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2294199356 WMZZXWBPKBHQGL-UHFFFAOYSA-N 463.490 3.793 10 10 JHCE O=C(NN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)c1ccccc1[N+](=O)[O-] 2296880025 QUEXFYZBBOPFKA-UHFFFAOYSA-N 464.322 3.904 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)ccc1OCc1ccccc1 2297346273 RHLAJBNHRIRBQR-UHFFFAOYSA-N 498.586 3.676 10 10 JHCE CC(C)CN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S 1236929 CYNGVZJHHMOSPX-FMQUCBEESA-N 451.573 3.899 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=N)N21 20206876 BBRNSIOTROJRGT-MQIWZSEOSA-N 469.592 3.722 10 10 JHCE CC(=O)Nc1c(C)nn(-c2ccccc2)c1N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 21650509 XNLUMJWCTMMQSS-UHFFFAOYSA-N 474.609 3.738 10 10 JHCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 31349893 HJYVREPPKOQUKN-UHFFFAOYSA-N 459.518 3.519 10 10 JHCE CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 33910885 VLEXAXDGUBBUMK-WOJGMQOQSA-N 473.532 3.929 10 10 JHCE O=C1CCc2cc(S(=O)(=O)Nc3cc(Sc4ncn[nH]4)c(O)c4ccccc34)ccc2N1 38488521 XQLLQEOERZKIAJ-UHFFFAOYSA-N 467.532 3.500 10 10 JHCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39989882 CEMPVYAWJXEJIB-RGEXLXHISA-N 474.652 3.666 10 10 JHCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)CC1 1858591440 MCUBXTCAVRSOGO-SFQUDFHCSA-N 466.581 3.535 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864009055 YKSSULZBPXJELZ-VWLOTQADSA-N 496.567 3.954 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@@H]2c1ccc(O)c(O)c1 1864020933 IPTCPFBPJVXLDD-HXUWFJFHSA-N 482.968 3.931 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864022818 RJHFEEOIQQHVIQ-YVEFUNNKSA-N 488.466 3.905 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865026201 JVFSKIQCLRWTKE-WNSKOXEYSA-N 492.551 3.743 10 10 JHCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1865031445 HABANBBXUQQTLZ-OAQYLSRUSA-N 474.561 3.934 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865035057 KGJRMKSTERKWCX-OAQYLSRUSA-N 480.540 3.607 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3CCN(C)C)CC2)cc1 1870768681 KHWQQKKDKKNTNS-UHFFFAOYSA-N 490.648 3.628 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651969 QVCDMLNAUWRRNY-UHFFFAOYSA-N 461.614 3.561 10 10 JHCE COc1cc(Br)cc([C@H]2[C@H](C(=O)O)CCN2C(=O)OCc2ccccc2)c1O 1952971972 MSCBHTBYLQYYOI-RHSMWYFYSA-N 450.285 3.948 10 10 JHCE CCN(CC)c1ccc(C=c2sc3nc(C=Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1 2295848698 UVXQNPYZWYGCAG-UHFFFAOYSA-N 462.575 3.733 10 10 JHCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4)cc3)C(=N)N21 2297345617 MMLCMILVWZZHGF-UHFFFAOYSA-N 496.570 3.553 10 10 JHCE O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(I)cc3)o2)SC1=S 3044021 MDBKPDBIBPQOHO-QPEQYQDCSA-N 471.297 3.837 10 10 JHCE O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@@H]21 14478339 HNTQWGBYFPIBBY-YWYGCRHHSA-N 455.536 3.879 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 59302442 CBQAKPVTJMGAPV-MOSHPQCFSA-N 472.453 3.639 10 10 JHCE COc1ccc(C2=NN(C(=O)CN3C(=O)C(=O)c4ccccc43)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413246 JWAPFEDAAUNOJB-RUZDIDTESA-N 482.540 3.668 10 10 JHCE COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 101592211 WKTXWPNXJGTXFN-YCAMKHIRSA-N 488.540 3.626 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1OC 103037537 QAUDRXWWNARMBA-VCHYOVAHSA-N 489.531 3.548 10 10 JHCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@H]5C[C@H](C)CC[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 104798364 YUSXHOLQWZJZER-YHYVQYDKSA-N 478.549 3.856 10 10 JHCE O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 250870743 YVUMVGFQEZLHSM-PCCBWWKXSA-N 459.404 3.660 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N(CCc3ccccn3)Cc3ccc(F)cc3)CC2)cc1 727032119 DIMDJAJKJWPIGK-UHFFFAOYSA-N 491.611 3.806 10 10 JHCE CC(=O)c1cc(Cl)cc(CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1O 1307662271 RTYWDQIATLBCOH-QHCPKHFHSA-N 455.986 3.557 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1595946310 YMVSLNMNKXPKEB-UHFFFAOYSA-N 484.714 3.915 10 10 JHCE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1)[C@@H]1C[C@H]1C 1662054286 OADFJXMWUWHNQU-IQGLISFBSA-N 450.583 3.978 10 10 JHCE CCC[C@H](NC(=O)/C=C/c1ccc(OCC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862159415 BNVOWFLGDPGMGH-RGCCYVKUSA-N 495.620 3.749 10 10 JHCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864007221 HXEWYASCFZLNPD-XMMPIXPASA-N 498.539 3.612 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864015515 AWHJZYJLFIQRPE-HXUWFJFHSA-N 462.550 3.982 10 10 JHCE COC(=O)c1c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C)c1-c1ccc(C)cc1 1866025171 RNZYENIUEZEYLE-UHFFFAOYSA-N 493.497 3.961 10 10 JHCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@@H](c3ccco3)C2)n1 1869116844 KLZLZYMVNPFXDF-HXUWFJFHSA-N 463.582 3.588 10 10 JHCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCCN2CCOCC2)cc1OCCCO 1871267017 VHXRSIKKUABRDR-UHFFFAOYSA-N 492.620 3.688 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I 2294095323 PRJHTNAZIHZLKO-UHFFFAOYSA-N 482.661 3.620 10 10 JHCE COc1ccc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c1 2297352702 NEXJGJZJGHYHHE-UHFFFAOYSA-N 478.578 3.784 10 10 JHCE N=C1C(=Cc2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297463079 CCLXMTDQLQOYHG-UHFFFAOYSA-N 480.449 3.636 10 10 JHCE CCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2314741039 SYKYWGNEUAVTCM-UHFFFAOYSA-N 460.371 3.708 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 2314837978 ZHCNOHDHNCHVFK-OAHLLOKOSA-N 487.628 3.509 10 10 JHCE COc1cc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1OCCC(=O)O 2314931937 JMAMCGQBKWXLOK-UHFFFAOYSA-N 472.544 3.913 10 10 JHCE CCOc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20356410 LDSNFRXDKKCCTE-GESHDMKESA-N 480.506 3.926 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OC 40937883 HWNXLTKOPNCPLT-LCYFTJDESA-N 460.371 3.621 10 10 JHCE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 104896118 KLOOYHHFOBRSHL-FKBYEOEOSA-N 455.441 3.829 10 10 JHCE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCN(CCc4ccccn4)CC3)C2=O)cc1 205621984 BTUDVZFRTULOIO-FCDQGJHFSA-N 494.686 3.758 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 248045061 LYSFFSFWAKWIDZ-RPBOFIJWSA-N 461.606 3.877 10 10 JHCE CN(Cc1ccccc1O)C(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757389283 WIRBURFMOOOGGT-QHCPKHFHSA-N 474.513 3.733 10 10 JHCE CC(=O)N[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 770287172 UTHUENWDOCAWQJ-UPCLLVRISA-N 484.508 3.600 10 10 JHCE COc1ccc(Cl)cc1S(=O)(=O)NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858609332 KOCVOJUXXPMCBE-UHFFFAOYSA-N 470.890 3.634 10 10 JHCE O=C(NCCc1ccc(O)c(O)c1)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 1860360644 ZXJSXPVGUICDBP-UHFFFAOYSA-N 487.534 3.620 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010651 VHKKZCBFSCCWAH-JOCHJYFZSA-N 466.582 3.960 10 10 JHCE CC(C)(NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866642288 VLIXHNGGFSRING-UHFFFAOYSA-N 469.453 3.857 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccccc3)c3cccc(F)c3)CC2)cc1 1868719550 NKJVIWRLAPDWIL-SANMLTNESA-N 475.564 3.821 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4cccs4)n(-c4cccc(Cl)c4)[nH]3)CC2)cc1 1869970200 FPSBGJJQLHVJLX-UHFFFAOYSA-N 495.008 3.992 10 10 JHCE CCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870614436 LQVDCKIECVSWQO-UHFFFAOYSA-N 451.542 3.917 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871482919 OPRSWMIYMVVROE-UHFFFAOYSA-N 461.614 3.561 10 10 JHCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1891788118 OVLQJNDTPKIZIW-JTAQYXEDSA-N 471.598 3.532 10 10 JHCE COc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1OC 2297499886 KDMJEQZCZDCNPU-UHFFFAOYSA-N 480.502 3.571 10 10 JHCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CC(C)C)C1=O 2314414940 RPOADIBZOMVMEL-UHFFFAOYSA-N 460.625 3.699 10 10 JHCE COc1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 2314832391 GJSBCZDLXIIWDW-INIZCTEOSA-N 458.948 3.882 10 10 JHCE CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 33516599 NHHKVQQDKMMHKX-JXAWBTAJSA-N 450.589 3.879 10 10 JHCE COc1c(C(=O)N=NC(N)=S)nn(-c2cccc(Cl)c2)c1NNc1ccc([N+](=O)[O-])cc1 255962828 APOQMYLFNYCBGJ-UHFFFAOYSA-N 474.890 3.718 10 10 JHCE COc1ccc(CO[C@H]2[C@@H](OCc3ccccc3)[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)O[C@@H]2COC(C)=O)cc1 616589482 NOLUREWJMGQUDD-KJWQXZETSA-N 499.520 3.696 10 10 JHCE COC(=O)Nc1cc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ccc1F 727609920 BCXFJHABBISDGR-UHFFFAOYSA-N 452.486 3.709 10 10 JHCE CCCCCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870531626 HJVQTPRWCUJKNU-JOCHJYFZSA-N 498.668 3.663 10 10 JHCE COCCOC(=O)c1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873999800 OHPJBVXCCFYVLM-UHFFFAOYSA-N 468.465 3.770 10 10 JHCE O=C(C[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016153 BQUSUJWSKZQVTQ-FQEVSTJZSA-N 487.899 3.565 10 10 JHCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1ccc(F)c(F)c1O 2084883333 JHAJEEFTUWLILX-UHFFFAOYSA-N 459.534 3.958 10 10 JHCE CC(C)(C)OC(=O)N1CC[C@@](COCc2ccccc2)(C(=O)NCCc2ccc(O)c(O)c2)C1 2180814538 WVZNWGJOIVENMJ-AREMUKBSSA-N 470.566 3.601 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1CC(COCc2ccccc2)C1 2200971897 OVMZADFPTMRLQL-CBNMVNINSA-N 470.566 3.645 10 10 JHCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 2296879896 IQVADJFHSOSTEW-CQSZACIVSA-N 489.372 3.669 10 10 JHCE CCN1C(=O)C(=C2SC(=S)N(CC(=O)OCC(C)C)C2=O)c2cc(Br)ccc21 2297457845 JFJMIPITYVLVDZ-UHFFFAOYSA-N 483.409 3.586 10 10 JHCE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 2313549326 SXTPXRLFMLSDFF-UHFFFAOYSA-N 459.296 3.831 10 10 JHCE CC[C@@H](NC(=O)C(C)=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330108672 HNHOZASNKIKBGW-HSZRJFAPSA-N 455.986 3.996 10 10 JHCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1OC 14479324 MOCWPKKMCMHUQS-AXHZCLLHSA-N 456.564 3.551 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15037964 ZXMNFVAFBHKVKU-UYRXBGFRSA-N 486.571 3.808 10 10 JHCE N[C@@H](CC(F)(F)F)c1cc(I)cc(I)c1O 95769174 VLZFMERKCYWVKE-ZETCQYMHSA-N 456.971 3.554 10 10 JHCE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c(C)n1-c1cccc(C(C)C)c1 108190283 HTLJQINNQIMMLG-UHFFFAOYSA-N 466.607 3.759 10 10 JHCE CCOc1cc(/C=C2\SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCC(=O)O 210461717 SLIRBPDQPUUOBC-ODLFYWEKSA-N 455.492 3.590 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 213221199 VBUQAGJJROMWCM-MGSLXVHVSA-N 471.579 3.670 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N[C@H](c3ccccc3)c3ccccc3OC)CC2)cc1 731045714 CLKABDGXABLPOC-HHHXNRCGSA-N 474.605 3.915 10 10 JHCE CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H](C)Cc1ccc(OC)cc1 731403571 OWERMGPXGNUALI-SIKLNZKXSA-N 452.599 3.560 10 10 JHCE CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083816726 LFNIPGXHEHYFCA-JTKSJCOOSA-N 469.494 3.687 10 10 JHCE CCN1C(=O)COc2ccc(C(=O)[C@H](C)Oc3cccnc3NC(=O)Oc3ccc(N)cc3)cc21 1858694786 NHQNLRUUASHKKF-HNNXBMFYSA-N 476.489 3.670 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)c3nn(-c4ccccc4Cl)c(=O)cc3O)cccc21 1859616514 NJQGYDIWVGLMNT-UHFFFAOYSA-N 471.856 3.619 10 10 JHCE CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862216447 NQKLFSHGPBVQHR-CJFMBICVSA-N 467.610 3.830 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864019441 YUEAEEZCUSFTAQ-OAQYLSRUSA-N 480.540 3.511 10 10 JHCE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031379 FREKWZDEWVVIID-MGPUTAFESA-N 460.534 3.594 10 10 JHCE CCOC(=O)CCCSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872824464 AMMUBPCQKOESBW-UHFFFAOYSA-N 482.606 3.969 10 10 JHCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c(OC)c1 1873421439 XXFSOIHJGRJERC-UHFFFAOYSA-N 488.588 3.865 10 10 JHCE C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1881305883 KFTUADKJGNHHGO-CRICUBBOSA-N 460.619 3.801 10 10 JHCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2040480013 FWXYZIZMNNGXQL-HNNXBMFYSA-N 489.527 3.643 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 2296540709 IKJZOSHZSFGXNE-SOLBZPMBSA-N 498.674 3.865 10 10 JHCE Cc1cccc(OCCOCCOc2ccccc2C=C2C(=O)NN(c3ccccc3)C2=O)c1 2297306611 AYWCRDNMOVFGHV-UHFFFAOYSA-N 458.514 3.931 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1I 2297577880 GFINMJBPLJDTGO-UHFFFAOYSA-N 469.076 3.515 10 10 JHCE COCCN1C(=O)C(=Cc2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2314414682 IXAPIOMXDZCFDL-UHFFFAOYSA-N 458.609 3.595 10 10 JHCE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc32)SC1=S 2533222 CGIUQNIUXWVMAR-FMQUCBEESA-N 451.573 3.880 10 10 JHCE C=CCN1C(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(OC)cc3)c(OC)c2)SC1=S 2953292 XBDBUNBIOQHGHM-CPNJWEJPSA-N 477.585 3.859 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4csc(C)n4)ccc3OC)CC2)cc1 13358259 WHMOMARANOCUMF-UHFFFAOYSA-N 459.593 3.647 10 10 JHCE COc1ccc(C(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1OC 25336481 MOPJPORFGONOMD-UHFFFAOYSA-N 479.552 3.891 10 10 JHCE O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)C2=O)c1 33617041 FTZMIOIQSVMBPP-LICLKQGHSA-N 495.369 3.877 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 40314096 JZDOEHGNVKAXEF-YADHBBJMSA-N 481.058 3.615 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1 40927890 QGUUNCSXNLLFBZ-NBVRZTHBSA-N 464.609 3.780 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 248074287 TXMMHICFJCMTNV-SPHKWJJASA-N 465.638 3.689 10 10 JHCE C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705886337 NFDTYHDQUFRUON-UHFFFAOYSA-N 489.668 3.919 10 10 JHCE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)C(=O)NC)C1 1705917847 YJOWODJOYKBVOX-QFIPXVFZSA-N 476.625 3.906 10 10 JHCE CC(=O)N1CCCN(c2nnc(CCc3ccccc3)n2CCCSc2nccs2)CC1 1741037430 NVUAPOZNHHFFPR-UHFFFAOYSA-N 470.668 3.761 10 10 JHCE CSCC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O 1859466444 ZDGRYJVFSVHCAG-OAQYLSRUSA-N 484.533 3.818 10 10 JHCE CCOc1cc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccc1OC 1860713100 JAIMVCMHWIPVEE-UHFFFAOYSA-N 458.514 3.988 10 10 JHCE CCOC(=O)c1c(NC(=O)c2cnc3nc[nH]n3c2=O)sc(C)c1-c1ccc(Cl)cc1 1866072923 QQNFWSLNKGBTJS-UHFFFAOYSA-N 457.899 3.537 10 10 JHCE CCCC[C@@H](NC(=O)CCc1ccccc1F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868599911 JCECFCIVTGPWJL-XMMPIXPASA-N 455.574 3.791 10 10 JHCE CC/C(=C\C(=O)N[C@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868666319 JVPUBPGAWMJVKN-UCDYPZRHSA-N 465.594 3.741 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OC 2294133759 HYYBKBRWIRCOAJ-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE CCOc1cc(Br)c(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OC 2294199375 YCOAVJAVZGIORW-UHFFFAOYSA-N 479.327 3.827 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(C(=O)O)ccc4C)o3)C(=O)NC2=S)c(OC)c1 2294244376 ANLUMMYYORVGLU-UHFFFAOYSA-N 492.509 3.802 10 10 JHCE CN(c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O)C1CCCCC1 2296701676 ZVGISRMYTDEXOF-KRWDZBQOSA-N 484.647 3.844 10 10 JHCE CCc1ccccc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)c1C 2297345542 GGEAPHTWZOFFCK-UHFFFAOYSA-N 469.592 3.668 10 10 JHCE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 2313558523 CUAUPBMGIYTQPH-UHFFFAOYSA-N 467.434 3.834 10 10 JHCE O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 1802011 KLTFJVAILHPIBO-OBTCNRAFSA-N 482.333 3.838 10 10 JHCE Cc1cc(N)c(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1C 9185376 WYQXQSHARZMRCV-UHFFFAOYSA-N 453.340 3.656 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCOc1ccccc1OC 20287459 OJBCBGQTYDBZAO-PXLXIMEGSA-N 480.546 3.513 10 10 JHCE N=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N=C2SC(c3ccccc3)=NN12 27827166 PCSQDEVKQOCIBM-AYYHGXMZSA-N 472.280 3.730 10 10 JHCE CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 95928501 CSNFFHDOQLRDOC-VHARHKTESA-N 462.579 3.565 10 10 JHCE Cc1c(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c(=O)n(-c2ccccc2)n1C 101549837 MGQCUOAYACFDCX-GZTJUZNOSA-N 468.516 3.504 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(C(=O)Nc4ccccc4)c3)cc2)CC1 1154271347 OXDCQBDTHOHYSC-UHFFFAOYSA-N 456.546 3.537 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccn2)sc(C)c1-c1ccc(OCC)cc1 1860763009 YWHRXGLSFOFSQQ-UHFFFAOYSA-N 467.547 3.949 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862204597 HORTULNSIZVQLG-SQJMNOBHSA-N 479.621 3.926 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008113 CGOSYKMYTDTLIF-QFIPXVFZSA-N 472.501 3.504 10 10 JHCE CC(C)[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1865901399 BJBDCHFHTXGEPV-LOSJGSFVSA-N 476.621 3.717 10 10 JHCE COC(=O)c1c(NC(=O)C(C)(C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccccc1 1866241337 YUNFNZJNWGTHEP-UHFFFAOYSA-N 463.515 3.918 10 10 JHCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccnc2)C1=O 1873169155 BUWOKMWMQROVKZ-UHFFFAOYSA-N 471.605 3.701 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5ccc(F)cc5)ncnc4n3C)CC2)cc1 1875195712 QNAVSBQQMLVCJX-UHFFFAOYSA-N 488.567 3.733 10 10 JHCE C[C@H](CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)N(C)Cc1ccccc1 2200959275 STVBVGJWSBVVBX-NQIIRXRSSA-N 471.598 3.560 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)cc1 2313548577 YXNJVISTOQXACI-UHFFFAOYSA-N 464.478 3.650 10 10 JHCE O=C1C(=Cc2ccccc2OC(F)F)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 2314933884 DQFCMLDSQALQSG-UHFFFAOYSA-N 478.542 3.905 10 10 JHCE CCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(C)c(C)cc4OC)n3)cc21 11857719 LLLJXQUKNPGZNU-UHFFFAOYSA-N 473.576 3.982 10 10 JHCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990359 DJGHEPJEFNXVTM-RGEXLXHISA-N 474.652 3.666 10 10 JHCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526387485 JDZGYXJREHAOSQ-AREMUKBSSA-N 487.556 3.915 10 10 JHCE C=C1C=CC(S(=O)(=O)O)=CC1=[N+]=Nc1cc(O)cc(/N=N/c2ccc([N+](=O)[O-])c(N)c2)c1O 616583077 YORLRSBMJUPIQS-XTQSDGFTSA-O 471.431 3.634 10 10 JHCE CS(=O)(=O)NCCN1C(=O)/C(=C\c2csc(-c3ccc(C(F)(F)F)cc3)n2)SC1=S 727175897 CGNBYROGBMMKGF-MDWZMJQESA-N 493.579 3.579 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018791 CSCQTUXVAKUCAN-YCRPNKLZSA-N 462.550 3.514 10 10 JHCE COc1ccc(OC)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866539623 BMJJZTFPGFYPRJ-NRFANRHFSA-N 478.593 3.568 10 10 JHCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871510993 IQHSNDNXZXHKQS-UHFFFAOYSA-N 482.032 3.968 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1OCCC(=O)O 2314936544 ZHHFKGSXODPAIW-UHFFFAOYSA-N 478.592 3.752 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 20208392 OSPVWXMUWNFVAH-PUYZJMEQSA-N 498.586 3.594 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)sc2c1CCCC2 20371142 DTLDDGKOWROVBH-HNNXBMFYSA-N 469.563 3.754 10 10 JHCE Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 95928496 BVHNHIBFAONARZ-QGUUBAPPSA-N 462.579 3.620 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1C 96459811 FMYWHZPLEYYEBP-PUYZJMEQSA-N 498.586 3.594 10 10 JHCE Nc1ccc(CS(=O)(=O)Nc2cc(Br)ccc2I)cc1 312552396 JKSYGQXWDZFDER-UHFFFAOYSA-N 467.126 3.578 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864016112 HTJRLGPTTHBZMO-JOCHJYFZSA-N 497.555 3.956 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865025854 FCSPLMDOAYEEDS-OYHNWAKOSA-N 460.534 3.545 10 10 JHCE CCCC[C@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867274626 JKNMVNFHLBPFHO-ZCYQVOJMSA-N 498.583 3.773 10 10 JHCE COc1cccc([C@H](C)CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1868155074 KUHFFTAXJJYUSH-MRXNPFEDSA-N 456.498 3.719 10 10 JHCE CCCCCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870425583 NXOBSQSFOBHUOJ-UHFFFAOYSA-N 499.652 3.947 10 10 JHCE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)CC2 2136297628 ZYQSCKVQLRLULD-ZWKOTPCHSA-N 459.543 3.507 10 10 JHCE CC(C)(C)OC(=O)NCCCN(C(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 2201006577 PTUHSTWUJOTACV-VQTJNVASSA-N 475.586 3.519 10 10 JHCE CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)C(=CNc2ccc(C(=O)O)cc2)SC1=S 2294778314 WMNZLJRWPHYJAE-QGZVFWFLSA-N 456.545 3.673 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1OC 2296710698 RXMNDEUYTHNCRI-UHFFFAOYSA-N 481.555 3.842 10 10 JHCE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 2313562617 ZSAOSTRPSZVYES-UHFFFAOYSA-N 469.664 3.777 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934270 GUOKYRGTCAECNZ-AWEZNQCLSA-N 486.571 3.792 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=N)N21 96459864 SOEQSSOYESWLBI-LMFUVNESSA-N 469.331 3.875 10 10 JHCE COC(=O)c1scc(C)c1N/C=C1/C(=O)N(CCc2ccccc2)C(=O)N(C(C)C)C1=O 100278015 XOHMXOYURBUMBC-ATVHPVEESA-N 455.536 3.581 10 10 JHCE COc1cc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1OCCC(=O)O 210445904 JMAMCGQBKWXLOK-UNOMPAQXSA-N 472.544 3.913 10 10 JHCE Cc1nn(Cc2ccccc2)c(C)c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 1083937432 BXEQWRRBQGMYKJ-NDENLUEZSA-N 479.334 3.977 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 1084443056 IYXFAEPVQVWYMQ-XFXZXTDPSA-N 464.316 3.613 10 10 JHCE CC(=O)N1CCc2sc(S(=O)(=O)NCc3cc(C)n(-c4cccc(C)c4)c3C)cc2C1 1561819251 QOOODARYQWUAAZ-UHFFFAOYSA-N 457.621 3.847 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)CCOc3ccc(Cl)c(Cl)c3)cc2)CC1 1625192957 LVZACQQOPCLBMA-UHFFFAOYSA-N 450.366 3.747 10 10 JHCE CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCCSc2nccs2)[C@H](C)C1 1690854238 YUECIMVAHIQAEL-MRXNPFEDSA-N 474.631 3.704 10 10 JHCE CC(C)CN1C(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C1=O 1859466309 OKMBMQYMTYUWTB-UHFFFAOYSA-N 452.466 3.966 10 10 JHCE CCc1nc2ccc(C(=O)N[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)cc2[nH]1 1861890594 FVFDOMZSVHRKLS-MHZLTWQESA-N 497.599 3.954 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccc(C)c3)CC2)cc1 1862283270 DJHKROTXTIGAQO-AREMUKBSSA-N 475.564 3.833 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034875 GPYONJYOXLHRIF-OAQYLSRUSA-N 480.540 3.607 10 10 JHCE CCCC[C@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867274625 JKNMVNFHLBPFHO-UKILVPOCSA-N 498.583 3.773 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3CCC3=CCCCC3)CC2)cc1 1870362078 HVESTAHTLDPCDO-UHFFFAOYSA-N 481.637 3.831 10 10 JHCE CCCCCOc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870676910 TXBWXWXBSYHNRJ-RUZDIDTESA-N 469.626 3.927 10 10 JHCE CN(C)CCCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1873865617 ORVBSFCIRAGNKD-HHHXNRCGSA-N 473.621 3.636 10 10 JHCE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNCc2cc(Cl)cc(Br)c2O)C1 2182453904 VLYDHQCKYOHMPA-GOSISDBHSA-N 467.763 3.873 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 2314837314 QUPWOUUJSCDMPI-ZDUSSCGKSA-N 485.543 4.000 10 10 JHCE CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)c1C 14754016 DYRDKVJYABDNSZ-CQSZACIVSA-N 458.470 3.620 10 10 JHCE COC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1ccc(N(C)C)cc1 32977714 GTIKBSXWAOOZKB-AREMUKBSSA-N 498.587 3.825 10 10 JHCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC(=O)OC 59533891 ZFOLDBMITGZTKX-MFOYZWKCSA-N 486.908 3.574 10 10 JHCE COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2)c1 96450586 ZXPDPVIXODSCBG-HSJXSQSUSA-N 452.517 3.854 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nnc(/C=C\c4ccc(F)cc4)[nH]3)CC2)cc1 98002994 PPMZPSQGNKELIK-WCIBSUBMSA-N 453.543 3.564 10 10 JHCE C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(NC(=O)c2ccccc2)c1 920637466 HGQIWINVINPLBY-OAHLLOKOSA-N 454.504 3.934 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCC(=O)N4C)C2=O)ccc1OC 1860087855 WTEAADIBCDSTLQ-VXLYETTFSA-N 456.545 3.855 10 10 JHCE COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860588422 GBVGNJLRSIKDJE-UHFFFAOYSA-N 468.509 3.962 10 10 JHCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029849 WNWVFSWUZLOQCN-QHCPKHFHSA-N 488.588 3.921 10 10 JHCE Cc1cc(C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1 1866830321 AUOLHOLYPQKBSS-KRWDZBQOSA-N 478.508 3.713 10 10 JHCE CCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870578575 QUCUUSPNRIFTSV-UHFFFAOYSA-N 485.625 3.557 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651248 QVCDMLNAUWRRNY-UHFFFAOYSA-N 461.614 3.561 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccccn3)C2=O)cc1 1873167732 VKFZLGHGBSFUOX-UHFFFAOYSA-N 471.605 3.701 10 10 JHCE COc1ccccc1CN1C(=O)C(NCCc2cnc[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168593 AVGMGNQCHMFHFU-UHFFFAOYSA-N 495.583 3.938 10 10 JHCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCO1 2163089297 JPDRVYATRMRUBA-IERDGZPVSA-N 476.618 3.680 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 2296732236 LVXNJFZIGUTHHS-UHFFFAOYSA-N 460.625 3.699 10 10 JHCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1 2297345720 VUGOQLVECUUFQN-UHFFFAOYSA-N 498.586 3.674 10 10 JHCE Cc1ccc(OCCCN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 2326944920 JOIBRCFQICMNIS-UHFFFAOYSA-N 482.583 3.857 10 10 JHCE O=C(CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)N(CCO)Cc1ccccc1 210496447 HLTSMEHDDYYUQM-LDADJPATSA-N 478.542 3.510 10 10 JHCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCOCC1(C)C 1705590644 RXFVZTSPYOQMRE-UHFFFAOYSA-N 484.648 3.926 10 10 JHCE O=C(Cc1ccc(Br)s1)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858765263 SUNRSKWFMSXFHI-UHFFFAOYSA-N 483.343 3.583 10 10 JHCE C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370980 UUHYIMSOJXKMBL-WZONZLPQSA-N 457.018 3.868 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC[C@@H]4CCCO4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871523022 XZCORTNOMZQRCR-QFIPXVFZSA-N 496.015 3.617 10 10 JHCE CCOc1ccc(Nc2nc(=NCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871527316 GWKLDOKMXQIALK-UHFFFAOYSA-N 477.613 3.839 10 10 JHCE COCCCn1c(C(=O)NCCC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873586927 SLIZPRBJBWVGHN-UHFFFAOYSA-N 494.640 3.579 10 10 JHCE COc1ccc([C@@H](n2nc(C(F)F)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079863138 RCWQASGQOIZKDE-CYBMUJFWSA-N 477.249 3.628 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C(F)F)c(C(=O)O)c2I)c(O)c1 2079876914 QBRPUMPPKMJNTJ-ZDUSSCGKSA-N 464.206 3.837 10 10 JHCE COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c2ccccc21 2294093681 DCFXAUVTMZPAGW-UHFFFAOYSA-N 496.317 3.552 10 10 JHCE COc1ccc(-n2c(C=CN(C)C)c([N+](=O)[O-])c3ccc(O)c(CN4CCOCC4)c32)cc1 2297330507 YPQMYQKFVYGMMW-UHFFFAOYSA-N 452.511 3.617 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1OCCC(=O)O 2314933283 AFCBQHARTWWFQZ-UHFFFAOYSA-N 486.571 3.793 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 15047209 SWCBJJYRZYQNGW-SJWFJVLYSA-N 472.544 3.718 10 10 JHCE O=C(c1ccccc1)[C@H]1C2(C(=O)c3ccccc3C2=O)N2CCC[C@H]2[C@]12C(=O)Nc1ccccc12 16041718 PFNVEKFZIFJNBO-SAYMBASOSA-N 462.505 3.672 10 10 JHCE biogenic COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 33891205 JQNDWBAYCSUINA-LICLKQGHSA-N 469.490 3.607 10 10 JHCE COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)c(OC)c1 59594382 MYIDOMQLXDPFAB-GZTJUZNOSA-N 479.470 3.703 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3cccc(Cl)c3)CC2)cc1 1861923977 UOLVHBFGEPFHMI-RUZDIDTESA-N 493.991 3.744 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864009398 GPBMTFWYFDLLMC-OXTHUFEASA-N 454.571 3.648 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](CO)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867946196 IILWGMMVAORPBU-QHCPKHFHSA-N 473.621 3.611 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4Cl)n(C(C)(C)C)n3)CC2)cc1 1869971126 YILGEILVLWZOSQ-UHFFFAOYSA-N 469.977 3.669 10 10 JHCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1C 2297306639 MTQOFWRBHFYKHT-UHFFFAOYSA-N 488.540 3.939 10 10 JHCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCCOC(C)C)C2=O)cc1 2323791711 YIDHDZFQVZLXOB-UHFFFAOYSA-N 450.626 3.950 10 10 JHCE CC[C@](C)(NC(=O)C=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330458677 VHBQCWOYCDDAPB-VWLOTQADSA-N 455.986 3.996 10 10 JHCE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CN)cc1Br 2364342531 QUYGXUIYKPJROP-UHFFFAOYSA-N 467.003 3.803 10 10 JHCE Cc1ccc(CN(C)C(=O)c2cc(I)sn2)c(O)c1Br 2380782025 QBWNSDUBLGANNR-UHFFFAOYSA-N 467.126 3.796 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(NC(=O)C4=C(C)OCCS4)cc3)CC2)cc1 9115240 MFDZMRPJVAUNCB-UHFFFAOYSA-N 453.564 3.591 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCCOc4ccccc4)cc3)C(=N)N21 96460428 WBSOLIJBWKOPAS-PWBATCCCSA-N 498.586 3.546 10 10 JHCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc2ccccc2c1 102467488 CCUMBYXWIJDSQS-IEHORWCKSA-N 477.571 3.869 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(OCc4ccccc4)ccc3O)cc2)CC1 1296398920 FHXOIEYYUVECBD-UHFFFAOYSA-N 459.546 3.570 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSCCCO)[C@@H](C)C1 1741042878 TVYCMLJIXRDIAC-FQEVSTJZSA-N 496.681 3.525 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864014593 YZVZLROSOBSOFR-OAQYLSRUSA-N 480.540 3.807 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864017930 YUAFZGIUQDCNIO-NRFANRHFSA-N 462.550 3.847 10 10 JHCE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871546805 JMOFIPNRAORRHM-UHFFFAOYSA-N 479.604 3.926 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)C)CC2)cc1 1874643298 VRXGLNWZWYGQRU-DEOSSOPVSA-N 462.594 3.599 10 10 JHCE CCCCN(C(=O)C=Cc1cccc2cccnc12)c1c(O)nc(=O)n(Cc2ccccc2)c1N 2040497168 CVHMTKDJDLFGQJ-UHFFFAOYSA-N 469.545 3.974 10 10 JHCE CCc1nn([C@H](c2ccc(OC)cc2O)C2CC2)c(I)c1C(=O)OC 2079980866 KIVIOIGKJAAIEG-INIZCTEOSA-N 456.280 3.550 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S 2314414813 NHPMQKFUEVECCP-OAHLLOKOSA-N 458.609 3.677 10 10 JHCE O=C(O)Cc1csc(NC(=O)CCN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)n1 2314936064 UIRSHNMLVUKVLH-UHFFFAOYSA-N 499.542 3.602 10 10 JHCE COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2)cc1OC 20154805 LJEAPSXDSYCODK-IQGAPNPZSA-N 482.543 3.863 10 10 JHCE Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c1 20356689 YGRPLZSISCTMOP-NHOPXOSBSA-N 462.579 3.620 10 10 JHCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 33528778 ZUPBOQFRQRSVME-CQUHBBLWSA-N 472.636 3.985 10 10 JHCE Cc1cc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 109239865 RWJBQDXUBAJVRE-XQBPLPMBSA-N 453.583 3.579 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc(OC)c1OC 206462842 MAASVHOTJXBOJH-GZTJUZNOSA-N 451.566 3.790 10 10 JHCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(NC(=O)N2CCOCC2)c1 586675648 UTJRUOVEPUGBTP-UHFFFAOYSA-N 455.470 3.578 10 10 JHCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1864007519 OOSSIARFUXEFGL-XMMPIXPASA-N 482.540 3.911 10 10 JHCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864017009 CFYCZXFDLFJWCE-QFIPXVFZSA-N 490.560 3.608 10 10 JHCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864017495 NRQDMAQGIZMVPT-QFIPXVFZSA-N 492.576 3.711 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3ccccn3)CC2)cc1 1870614084 WRZIJLYLBOTDGZ-UHFFFAOYSA-N 474.605 3.967 10 10 JHCE CCNC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870972123 KUVWQWMWHSGSGG-UHFFFAOYSA-N 486.576 3.685 10 10 JHCE O=C(N[C@H](CC1(c2cc(O)nc(O)c2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952641946 YUYRNFVZFQPZFF-OAQYLSRUSA-N 460.486 3.906 10 10 JHCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(CN)c1I 2079854067 DXQPYJPCCDTAQN-LLVKDONJSA-N 455.218 3.679 10 10 JHCE COc1ccc(-n2cccc2C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 2294095604 WWXSJZTWHCUVEB-UHFFFAOYSA-N 466.291 3.915 10 10 JHCE O=C(O)CN1C(=O)C(=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2297450257 FECOXZWWSSYGKH-UHFFFAOYSA-N 475.345 3.656 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)C(=O)O 2314932912 PVZOEHDSPBMBLD-LLVKDONJSA-N 492.962 3.747 10 10 JHCE COc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCCC3)SC2=S)cc1 2253894 KKMFAHPUTRZPCR-UDWIEESQSA-N 480.615 3.576 10 10 JHCE Cc1cc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)ccc1F 62694349 KDMIBYIHSIRAEY-UHFFFAOYSA-N 469.582 3.731 10 10 JHCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)c(C)c1 727249271 RDHPGPIMRIZFPO-UHFFFAOYSA-N 479.605 3.712 10 10 JHCE CC(C)Oc1cccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 1858590955 QPEHGJBCPFGFBO-CPNJWEJPSA-N 462.618 3.565 10 10 JHCE CCCOc1ccc(CC(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861901154 IMJANYLEBCXCJE-MUUNZHRXSA-N 481.637 3.969 10 10 JHCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864007900 XJNMSWIOWTWKMI-NRFANRHFSA-N 480.952 3.999 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864014406 ULTXVWINAYWZOH-FQEVSTJZSA-N 482.968 3.931 10 10 JHCE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864020554 DKZLKGZKVWVTQO-QHCPKHFHSA-N 482.540 3.972 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864020910 HXXHDQFNUDJZAB-JOCHJYFZSA-N 476.577 3.566 10 10 JHCE COc1cc(OC)c2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(O)c2c1 1866552094 RJIJGENEDSLXAL-QHCPKHFHSA-N 478.593 3.981 10 10 JHCE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)C[C@H]1C 1869184409 QDLYHFVQXPJCHV-SZPZYZBQSA-N 496.700 3.655 10 10 JHCE Cc1c(N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2053496785 LFFLWHREPHFCHN-UHFFFAOYSA-N 450.589 3.956 10 10 JHCE CC(C)CN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2297467651 WPJCUJSJIUFXSO-SFHVURJKSA-N 480.615 3.697 10 10 JHCE Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c2ccccc2n1 9135672 YXKRPVAPRZATSY-SANMLTNESA-N 471.605 3.817 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CCC2)c(OS(=O)(=O)CC)c1 37424144 GWBWHSCSTACRDE-NRFANRHFSA-N 452.617 3.569 10 10 JHCE CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCC(=O)N(CC)CC 40942127 QJESXFXQEDXYSY-NTEUORMPSA-N 473.414 3.584 10 10 JHCE O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 65314186 OWNPXWOVPHSXRA-RUZDIDTESA-N 485.632 3.815 10 10 JHCE CN(C)c1ccc(/C=C\CN[C@H]2C[C@@H](C(=O)NCc3cccnc3)N(C3Cc4ccccc4C3)C2)cc1 229868800 MQURPAMBWHMLOZ-QUVYSPTFSA-N 495.671 3.677 10 10 JHCE CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCCSc2nccs2)[C@H](C)C1 1540996274 FGTAYKLVUFECDC-GOSISDBHSA-N 486.667 3.596 10 10 JHCE CCc1sc(NC(=O)C(=O)N=c2cc[nH]cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860750640 XMRXMRZDWTXFHM-UHFFFAOYSA-N 488.363 3.921 10 10 JHCE Cc1ccc(C)c(CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 1860826390 FADFYKZQMIKLDN-VXPUYCOJSA-N 452.557 3.896 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc4nc(C(C)(C)C)[nH]c4c3)CC2)cc1 1862102175 ISDHXQUVULLPCU-DEOSSOPVSA-N 489.620 3.822 10 10 JHCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864013263 ULVCGZCUIAZFHZ-QFIPXVFZSA-N 476.577 3.743 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015489 ALPYJSWKGJAFQH-OAQYLSRUSA-N 486.503 3.648 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032921 NWCKLEDWATWOFR-QFIPXVFZSA-N 476.577 3.776 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868867543 HFCGZGJTQKMFIO-SBUREZEXSA-N 455.986 3.696 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871474759 QZSXZJRRGSDVAM-UHFFFAOYSA-N 482.592 3.688 10 10 JHCE O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CC(=O)N(CCO)c1ccccc1 15912775 SXZQKVQCXALDMG-SFQUDFHCSA-N 477.405 3.676 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=N)N21 20206698 GGNWSIPIPLKATB-BIWIXZEJSA-N 468.560 3.585 10 10 JHCE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)cc1 25054151 AFVNTFBUAREMMV-UHFFFAOYSA-N 483.565 3.583 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1[N+](=O)[O-] 33436609 HMJVMHXFMSKZGI-WOJGMQOQSA-N 471.516 3.944 10 10 JHCE CCCCN1C(=O)/C(=C/c2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S 33467334 IJAORGCZPZVWEX-LGMDPLHJSA-N 460.625 3.843 10 10 JHCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 100087603 MHFJJUFBSBSNEX-HYARGMPZSA-N 493.541 3.965 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)cc1 210719902 RPQJVLBHWPMSOF-XDHOZWIPSA-N 486.571 3.895 10 10 JHCE O=C1[C@@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)cc1 226922891 YVUMVGFQEZLHSM-PWRODBHTSA-N 459.404 3.660 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccccc3F)n2CCCSc2nccs2)C1 1286851368 LAEVINSHMTXPLS-SFHVURJKSA-N 488.658 3.952 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc(F)cc3)c3ccccc3)CC2)cc1 1862122847 DBGDXWMZIFATNN-SANMLTNESA-N 461.537 3.583 10 10 JHCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@H]2c1ccc(O)c(O)c1 1864014884 FMWUSJPFUDTYHW-HNNXBMFYSA-N 494.857 3.515 10 10 JHCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CC1)[C@H]2c1ccc(O)c(O)c1 1864014900 FUUXGGRUCLHUFG-FQEVSTJZSA-N 460.534 3.591 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864022439 WQJGYEPLZPRCPB-QHCPKHFHSA-N 490.604 3.875 10 10 JHCE CCCC1=NN(Cc2ccccc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665628 DQHMQZATIFSHGA-PTGBLXJZSA-N 463.578 3.988 10 10 JHCE COC(=O)c1c(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccccc1 1866113536 IQFSQQUTMPNPIJ-UHFFFAOYSA-N 458.561 3.736 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3OC)CC2)n1 1867957764 HZHWYNXRHCLTSD-UHFFFAOYSA-N 488.636 3.709 10 10 JHCE CCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1875207977 OZKPBSFDCZUDSZ-UHFFFAOYSA-N 494.640 3.897 10 10 JHCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1 2201092457 WIQADPQRQRWVOA-TZMCWYRMSA-N 463.756 3.750 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1Cl 2313560772 GLBVVNJVLRJJIH-UHFFFAOYSA-N 450.632 3.677 10 10 JHCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)SC1=S 2314767237 FEUPNJHJJSWQOU-QGZVFWFLSA-N 483.527 3.813 10 10 JHCE C[C@@H](C(=O)NCC(=O)O)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314837040 NLAJCYXFIKDJDJ-ZDUSSCGKSA-N 450.541 3.784 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1OCCC(=O)O 16919750 DMONENGLPWGMTI-LDADJPATSA-N 490.534 3.624 10 10 JHCE COCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33803848 COSMPNLCPZKEBG-UNOMPAQXSA-N 498.605 3.992 10 10 JHCE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 39835821 SCAKKTZZWIZXFS-GHRIWEEISA-N 497.554 3.561 10 10 JHCE O=C(O)CCNC(=O)CCCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 210725440 IRCINLXIXSHIJR-HMMYKYKNSA-N 484.599 3.838 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 248045058 LYSFFSFWAKWIDZ-DQEYMECFSA-N 461.606 3.877 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(C)C)cc2C)CC1 1760578330 WNKKWHGXXQDWLE-UHFFFAOYSA-N 481.670 3.504 10 10 JHCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864008119 CNXPCSWEFITQKY-OAQYLSRUSA-N 480.952 3.999 10 10 JHCE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865031741 NLCOUEHZQIQCDY-QGZVFWFLSA-N 486.450 3.619 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992478 FGZFCFZSVXCYOP-OAQYLSRUSA-N 489.620 3.696 10 10 JHCE CC[C@](C)(NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868939043 AAGOQKWZNQRPCL-HRFSGMKKSA-N 467.610 3.831 10 10 JHCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873167487 JRTWROXPYBZKEP-XMMPIXPASA-N 478.637 3.675 10 10 JHCE CC(=O)NCCN1C(=O)C(N[C@H](C)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168448 VZHCHBPTPHMGIZ-HXUWFJFHSA-N 470.573 3.661 10 10 JHCE CCCN1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3c(C)cccn3c2=O)SC1=S 2296707723 ARNURFVTDKIRLZ-UHFFFAOYSA-N 494.598 3.955 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC)c(OC)c3)C2=O)cc1 2297324796 VYROHTIGWPQNHS-UHFFFAOYSA-N 489.322 3.922 10 10 JHCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O 16911504 JOBAYZZLZCUICQ-LFIBNONCSA-N 462.936 3.740 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4cccc(C)c4)c(O)n3)CC2)cc1 1858514537 CIQIDWPDURLOBO-UHFFFAOYSA-N 464.591 3.916 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 1858594142 MURROSFJOHMDRQ-GDUPUGJQSA-N 498.626 3.831 10 10 JHCE O=C1c2ccccc2C(=O)c2c(Nc3ncc(Br)c(=NCCc4cnc[nH]4)[nH]3)cccc21 1860399064 CQZDCFBAJBOEAS-UHFFFAOYSA-N 489.333 3.558 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864008222 GFGXRRBAYUOOOI-IVZQSRNASA-N 462.550 3.569 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864009037 YBCRAGABZQCHLA-XMMPIXPASA-N 482.540 3.662 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864012057 PXVHZNLBWUBGCZ-HXUWFJFHSA-N 468.941 3.525 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865035584 XEQVKZCFVLUPKR-FQEVSTJZSA-N 454.571 3.610 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)nc(-c4ccccc4)n3)CC2)cc1 1867971893 LNXIGDHZUPWIIO-UHFFFAOYSA-N 487.604 3.822 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccccc3)C2)n1 1869130204 FTRPACDZDLTUFM-XMMPIXPASA-N 459.594 3.952 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)Oc4ccccc4C(C)C)n(C)n3)CC2)cc1 1869969066 CBLAVFWYYXSJRL-LJQANCHMSA-N 478.597 3.680 10 10 JHCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC)C1=O 1873167838 ZXHJRXJSSGCXPT-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE CC(C)(C)OC(=O)N1CCN[C@@](C)(c2cc(Br)cc(Br)c2O)C1 1952076095 QLBQXGBENSKLEI-MRXNPFEDSA-N 450.171 3.973 10 10 JHCE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1Cl 2294095672 YABYFDRDESRJQJ-UHFFFAOYSA-N 469.664 3.777 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3C(=O)O)CC2)cc1 33253119 GINJXEKOOMXNHT-UHFFFAOYSA-N 499.564 3.968 10 10 JHCE CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 86077428 NZVJCQBVMLZWKG-HXUWFJFHSA-N 475.593 3.602 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3ccc(Br)s3)cc2)CC1 1567591284 CXHABDIHWZEBTQ-CQSZACIVSA-N 450.402 3.599 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)n(C)c(=O)n3C)c(C)s1 1859574466 OGRYAUJGNGTHIY-UHFFFAOYSA-N 472.592 3.735 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)sc(C)c1C 1860740524 OXNAVAFHSBVATI-UHFFFAOYSA-N 476.510 3.894 10 10 JHCE CCCOc1ccc(CC(=O)N[C@@H](CCC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861900360 OWZIKZWAHKMFIO-VWLOTQADSA-N 481.637 3.969 10 10 JHCE CCC[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862076042 SNCVZJCMDWCKKX-DEOSSOPVSA-N 475.593 3.503 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)cc1 1862092201 FSVZMYFDQWCBDH-LJQANCHMSA-N 483.572 3.706 10 10 JHCE CCC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862262914 VPGACRVPEHEWNT-VWLOTQADSA-N 467.610 3.977 10 10 JHCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864013679 YXKITUWHRYHEOX-NRFANRHFSA-N 494.979 3.922 10 10 JHCE COc1cc(OC)cc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867396137 XGCYCFQXYZQJRT-VWLOTQADSA-N 496.652 3.622 10 10 JHCE CCCn1c(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc2c(=O)n3ccccc3nc21 1891608165 NKRQGQAWQRKZGX-FPOVZHCZSA-N 455.562 3.978 10 10 JHCE CC[C@@H](C)N1C(=O)C(=C2C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2296715347 PZIWTKJSEYKRMU-OAHLLOKOSA-N 465.600 3.720 10 10 JHCE Cc1c(N2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2296717954 XBWQFKZLHAGCDL-UHFFFAOYSA-N 452.517 3.798 10 10 JHCE COCCNc1cc(N2CCN(c3ccccn3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9642182 NVSIPHXDMLVNCE-UHFFFAOYSA-N 455.518 3.819 10 10 JHCE CCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33457684 OFPDEZDWBTZSGA-NBVRZTHBSA-N 450.589 3.879 10 10 JHCE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 728748109 UHWRWURLQCDZKH-OFNKIYASSA-N 475.637 3.514 10 10 JHCE CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1)C1CC1 1623117012 AZECJXIXFMIEEU-UHFFFAOYSA-N 450.583 3.728 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864008705 QCCKFQUFVVFMSA-MPBGBICISA-N 468.941 3.855 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccco4)n(-c4ccccc4Cl)[nH]3)CC2)cc1 1869969827 UKQAOVWODMKNCC-UHFFFAOYSA-N 478.940 3.523 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCCN(C)C)CC2)cc1 1870468876 XSSJYWGIDAIFSH-UHFFFAOYSA-N 490.648 3.710 10 10 JHCE CCOCCOC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871122205 TZIAPHSAHJLXDQ-HXUWFJFHSA-N 495.576 3.543 10 10 JHCE O=C1NC(=S)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2297365228 VBEUKFFCSWZRCG-UHFFFAOYSA-N 456.863 3.718 10 10 JHCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1 2314486705 BMLFTMTYFIYZAO-UHFFFAOYSA-N 463.475 3.875 10 10 JHCE COc1ccc(N2CCN(C(=O)c3sc(NS(=O)(=O)c4ccc(C)cc4)nc3C)CC2)cc1 8978842 NVBWSLVAEOQKSK-UHFFFAOYSA-N 486.619 3.532 10 10 JHCE Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(CCc3ccc(F)cc3)C(=O)[C@@H]12 9086559 YHJOOICGVLHRBO-SGNDLWITSA-N 483.495 3.867 10 10 JHCE Cc1cc(C(=O)CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)c(C)n1-c1ccc(F)cc1 62694587 SZQBRDGBGOJFTB-UHFFFAOYSA-N 451.517 3.942 10 10 JHCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cccc(OC)c1O)N2 65298287 PXTYXZIFDBSSPD-IBGZPJMESA-N 467.522 3.602 10 10 JHCE biogenic COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c([N+](=O)[O-])cc1OC 33321819 YEMZNQYSDWGBOI-QPEQYQDCSA-N 476.239 3.881 10 10 JHCE O=C(NN1C(=O)/C(=C/C=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccc([N+](=O)[O-])cc1 34847261 CCCGQNXVKHXRGP-IFEJVMTJSA-N 456.461 3.605 10 10 JHCE Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1 96460934 XBNHVTIPLSCFKN-YFGLPBLDSA-N 496.570 3.614 10 10 JHCE CN(C)c1ccc(CN(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C2CC2)cc1 731402066 VAMCZBPIGRVLHK-JOCHJYFZSA-N 457.596 3.902 10 10 JHCE COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 1084583823 ZJIKIMPHTHJYHH-AQTBWJFISA-N 477.517 3.851 10 10 JHCE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CC2 2136297625 ZYQSCKVQLRLULD-MSOLQXFVSA-N 459.543 3.507 10 10 JHCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](CC)C1 1705929940 AYIJTZOYDHZFSW-QFIPXVFZSA-N 483.638 3.569 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)NCCc1ccccc1 7018399 FTWNTCFEFHNKPK-XSFVSMFZSA-N 454.573 3.756 10 10 JHCE COc1c(Cl)ccc(Cl)c1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 1858074865 UXARICIHKUJFLM-IBGZPJMESA-N 452.382 3.871 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864022453 XERIMHFYKPQDOV-QFIPXVFZSA-N 470.529 3.830 10 10 JHCE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4c(C)cccc4C(=O)O)cc3C2=O)cc1 1865884841 NTJXPGFHESALJB-UHFFFAOYSA-N 458.470 3.793 10 10 JHCE Oc1ccccc1N=c1nc(N2CCc3ccccc3C2)[nH]c(N2CCc3ccccc3C2)n1 1871730259 OBQUBFODDIVCCC-UHFFFAOYSA-N 450.546 3.868 10 10 JHCE COc1ccc(C2([C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)C(=O)c3ccccc3C2=O)cc1OC 999143 NNICEXDSXBLMKU-LJQANCHMSA-N 475.453 3.810 10 10 JHCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2040498019 ADHSLZCRKXTXIJ-IYBDPMFKSA-N 496.614 3.611 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCSCC3)nc12 2040498510 LRPCHIFCNRQWKT-UHFFFAOYSA-N 472.661 3.700 10 10 JHCE CCc1nn([C@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C(N)=O 2079939634 QLMJSFAGMXXDGX-KRWDZBQOSA-N 453.324 3.861 10 10 JHCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NC[C@H](c3ccco3)N(C)C)C2=O)cc1 2314625259 UKLPOFVRNHJRQI-GOSISDBHSA-N 457.621 3.989 10 10 JHCE COC(=O)CN1C(=O)/C(=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 40839963 VYFLPVFMRUJQEV-MSUUIHNZSA-N 489.372 3.745 10 10 JHCE COc1cccc(OC)c1C(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 62694574 ODJZXPXNWDEXQK-UHFFFAOYSA-N 479.552 3.891 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1 210402295 SSYBCNRMSYMUED-ATVHPVEESA-N 459.545 3.855 10 10 JHCE CC(=O)N1CCN(c2ccc(CNc3ncnc4cc(F)c(Br)cc34)cc2)CC1 1651824154 FHUPBKOSHQVHMV-UHFFFAOYSA-N 458.335 3.812 10 10 JHCE CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCCSc2nccs2)[C@@H](C)C1 1749869020 RUTWNCGHNHTJGF-SFHVURJKSA-N 470.668 3.873 10 10 JHCE COc1ccc(N2CCN(C(=O)CCN(Cc3ccccn3)C(=O)OC(C)(C)C)CC2)cc1 1858127133 CMVCGWDLZDITSF-UHFFFAOYSA-N 454.571 3.566 10 10 JHCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864019630 NYXGKAHNYMUJHB-HSZRJFAPSA-N 490.604 3.989 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCCCCO)CC2)cc1 1870352944 MQNGNYQFQONCPJ-UHFFFAOYSA-N 471.642 3.767 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871601611 YODBDSLYQKQLMS-UHFFFAOYSA-N 481.604 3.715 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3F)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873426189 VXVZTWHPYRFLMW-UHFFFAOYSA-N 488.563 3.757 10 10 JHCE CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C1=O 2294276911 RDEVZFDSJVMGGB-UHFFFAOYSA-N 473.485 3.857 10 10 JHCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1OC 2296885286 NFIKJXJNJVPYLQ-UHFFFAOYSA-N 464.952 3.903 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 2297334684 PKFANFYBVVSIKW-UHFFFAOYSA-N 473.532 3.929 10 10 JHCE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O 33774695 MNFNWOKNFOGWFD-HDZGYNCQSA-N 498.605 3.726 10 10 JHCE O=C([C@H]1CN(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)c2ccccc2O1)N1CCCCC1 96912134 WRJGMOHDUOPRCH-KMAVEXBHSA-N 456.546 3.751 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)cc1 97595319 MODVQRVQLRLQKA-RCCKNPSSSA-N 486.615 3.663 10 10 JHCE Cc1cccc(OCCOCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 103476112 AYWCRDNMOVFGHV-CLCOLTQESA-N 458.514 3.931 10 10 JHCE CC1CCN(c2ccc(CNC(=O)[C@H]3CCCN(Cc4cccnc4)CCC(=O)NCC3)cc2)CC1 257181013 MIUDNQYSSHUGFC-SANMLTNESA-N 491.680 3.743 10 10 JHCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526625458 RXIFONNNDKILHO-RUZDIDTESA-N 491.496 3.888 10 10 JHCE COc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860589569 QCCUUMXSOYJGOL-UHFFFAOYSA-N 482.536 3.890 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc4ccccc4[nH]3)c3ccccc3)CC2)cc1 1862075390 YPBVBNZNKBJCPB-AREMUKBSSA-N 468.557 3.996 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc4nc(C(C)(C)C)[nH]c4c3)CC2)cc1 1862102176 ISDHXQUVULLPCU-XMMPIXPASA-N 489.620 3.822 10 10 JHCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864010856 PRNUVNJYEBGTIU-OYHNWAKOSA-N 492.576 3.854 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](C)Cc3ccc(F)cc3)C(C)C)CC2)cc1 1868768254 WPJUECPHLWPPDV-DVECYGJZSA-N 455.574 3.503 10 10 JHCE CCOC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871146784 ABRVRRBURPDEQG-UHFFFAOYSA-N 451.523 3.528 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 2297346250 PPAUHOZTFVCQBM-UHFFFAOYSA-N 495.508 3.734 10 10 JHCE Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C=Cc2ccc(N(C)C)cc2)s1 2314854032 VNKXUSSZIHRJTJ-UHFFFAOYSA-N 483.619 3.706 10 10 JHCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CC(=O)c3cc4ccccc4o3)c3ccccc32)SC1=S 2326944921 JTIGHNIRGPHYKB-UHFFFAOYSA-N 492.534 3.708 10 10 JHCE COCc1nnc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1-c1ccccc1 20426752 RSRIFXJBPMRTDG-UHFFFAOYSA-N 484.537 3.920 10 10 JHCE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(C)CC2)SC1=S 33467679 YRGOZBWQRFOZMH-HMMYKYKNSA-N 487.695 3.582 10 10 JHCE CC(=O)Nc1ccc(-n2c(CCC(=O)NC(=O)[C@H]3CCCNC3)ccc2-c2ccc(F)cc2)cc1 34915622 DJMOJCWUSQQRIT-FQEVSTJZSA-N 476.552 3.817 10 10 JHCE C[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59428031 PKMFCOXSWVRCGE-QGENPCKLSA-N 465.505 3.808 10 10 JHCE COc1ccc(N2CCN(c3ccc(N4C(=O)C[C@H](c5ccccc5)C4=O)cc3[N+](=O)[O-])CC2)cc1 102784578 OBHXIJZLUYYOIA-HSZRJFAPSA-N 486.528 3.977 10 10 JHCE CC(C)N(CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Cc1ccccc1 755051460 RWNNBPINOBFVQB-XKZIYDEJSA-N 497.642 3.643 10 10 JHCE O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc4nc(O)[nH]c4c3)cs2)ccc1Cl 1859572701 AYFQCXQYVAINPV-UHFFFAOYSA-N 451.873 3.754 10 10 JHCE CCCC[C@H](NC(=O)CCCOc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862224522 VIDYOSGVOBXBNH-VWLOTQADSA-N 467.610 3.878 10 10 JHCE CC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862232664 XDPOYKMDELVORQ-HSZRJFAPSA-N 474.001 3.751 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864020758 GSTUSCVVCXKHNW-FQEVSTJZSA-N 454.571 3.656 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)C[C@H](CNC(=O)C(F)(F)F)c2ccccc2)c2nccn2C)cc1 1865983853 WCYDOEYFLHYKNB-KNQAVFIVSA-N 487.526 3.544 10 10 JHCE CCCN(CCC)c1cccc(C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1868129383 OGIYANWSNHCKEG-UHFFFAOYSA-N 484.556 3.852 10 10 JHCE CC[C@](C)(NC(=O)c1sc(C)nc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868975648 JHQOPDPPZTXBCI-DEOSSOPVSA-N 458.628 3.831 10 10 JHCE CCN(CCc1ccncc1)c1nc(=Nc2cc(C)ccc2O)nc(N(CC)CCc2ccncc2)[nH]1 1871732098 SGYIEFLHLNRXGP-UHFFFAOYSA-N 498.635 3.979 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873170995 ZXJGULBVSRSZOA-UHFFFAOYSA-N 498.627 3.937 10 10 JHCE Cc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C(N)=O)c2I)c(O)c1 2079046881 FVOMYZKZCLOPDK-CQSZACIVSA-N 461.250 3.928 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(CN)cc2F)CC1 2220633784 NGFRXOWLIPUTON-UHFFFAOYSA-N 452.571 3.579 10 10 JHCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2293789255 CMBQMAIAEQZARQ-UHFFFAOYSA-N 467.865 3.701 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4cccc(C)c4)cc3)C(=O)N=C2S1 2297346224 NLJDCLMOQACASN-UHFFFAOYSA-N 468.560 3.585 10 10 JHCE COCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314413838 IYMOEIGNDSGDNQ-UHFFFAOYSA-N 484.578 3.683 10 10 JHCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2323827216 IIOIIEZAGYJDMP-AUUYWEPGSA-N 464.609 3.634 10 10 JHCE COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1C 11857727 GQGBHWMNAWIHOF-UHFFFAOYSA-N 459.549 3.876 10 10 JHCE CN(C)c1ccc(CN2C(=O)c3nc4ccccc4n3C[C@@]2(C)C(=O)NCc2ccccc2)cc1 21862471 MCJLYCZHNLNNAJ-NDEPHWFRSA-N 467.573 3.833 10 10 JHCE O=C(O)c1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C\c4ccc(Cl)cc4)SC3=S)C2=O)cc1 34839882 SRMDTIIGNZBGNS-WNLSXJKCSA-N 472.931 3.572 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 40317234 RZGWDJMOMCXKDX-PKTZIBPZSA-N 495.085 3.924 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 1858958319 DIUJTYKMLOJOAP-LHHJGKSTSA-N 485.949 3.729 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1861954167 VLLSUQIRBOUUBK-GPLAWQGUSA-N 487.575 3.924 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033697 GQSOXMMQPDTUSO-SUMWQHHRSA-N 494.514 3.922 10 10 JHCE CCc1sc(NC(=O)CC[C@H](N)C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866021407 ZPLZHBPRFJTBNN-LBPRGKRZSA-N 469.357 3.657 10 10 JHCE CCCCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871515340 VYUSAXDRAZTDJX-UHFFFAOYSA-N 451.550 3.723 10 10 JHCE CCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2CC)[nH]1 1871557313 LMYRLSRGJNHNKZ-UHFFFAOYSA-N 461.614 3.569 10 10 JHCE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1cc(I)ccc1O 1952826305 WRSWEQSDLCJPCA-PBHICJAKSA-N 467.259 3.781 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 2297346236 OSPVWXMUWNFVAH-UHFFFAOYSA-N 498.586 3.594 10 10 JHCE CCCC[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328578364 USVHUHQBXKILKF-DEOSSOPVSA-N 480.565 3.640 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Nc4ccc(F)cc4)n3)CC2)cc1 9650682 MSXMIDWTMQKIDS-UHFFFAOYSA-N 469.542 3.826 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1cccc(O)c1O)Nc1ccccc1-3 21658949 KGTCYFCPYNGZSY-NRFANRHFSA-N 466.497 3.621 10 10 JHCE COc1ccc(N2CCN(c3ccc(C(=O)O)cc3NS(=O)(=O)c3cccc(C)c3)CC2)cc1 32961943 ASPWZHWGDQNXPU-UHFFFAOYSA-N 481.574 3.829 10 10 JHCE CN(C)c1ccc(CNC(=O)CSCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 32987283 YNIGCZALFXXWHL-UHFFFAOYSA-N 459.572 3.545 10 10 JHCE CC[C@H](C)N1C(=O)/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33723520 BQFMMMAYIZCYJD-VOSWBJTRSA-N 458.609 3.594 10 10 JHCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OC)c(OC)c1)C[C@@H](c1ccccc1O)N2 65297886 XBDZVEOHYZDOPW-FQEVSTJZSA-N 453.539 3.882 10 10 JHCE biogenic CCN(CC)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1 586194196 BTYIGXABWOCKBM-UHFFFAOYSA-N 462.571 3.999 10 10 JHCE CC(=O)c1cccc(OCc2cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N(C)C)no2)c1 1539705852 HZWDRIPTXMZKAS-XMMPIXPASA-N 450.539 3.555 10 10 JHCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1(N(C)C)CCOCC1 1705590711 ULKUTFNMNUZFHP-UHFFFAOYSA-N 484.648 3.926 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864010198 JVQAGGFNTVDELR-HSZRJFAPSA-N 497.555 3.642 10 10 JHCE O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1=CNC1CCN(Cc2ccccc2)CC1 2296082650 ONLUQGXWMYVFDR-UHFFFAOYSA-N 454.530 3.561 10 10 JHCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCOCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296704165 QLTSRRMBKOHOEF-UHFFFAOYSA-N 492.626 3.549 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 2313548677 BVIDHWRBAXAFRT-UHFFFAOYSA-N 477.429 3.929 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2O)SC1=S 15044798 YXHXBQKJQIKEEW-SDXDJHTJSA-N 464.609 3.915 10 10 JHCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 39990232 QGMSQCWLVWMTES-HVHPIKSNSA-N 474.652 3.663 10 10 JHCE CCN(CC)c1ccc([C@@H]2N(C(=O)CN3CCCC3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 59074331 BGSFTRSSNDZZLR-HHHXNRCGSA-N 498.693 3.859 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3ccc(OCc4ccccc4)c(OC)c3)CC2)cc1 742916215 FTIJRFUNTFDPCB-UHFFFAOYSA-N 475.589 3.835 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(I)cc1 1084145523 YZWPSZIILDBBRW-ZROIWOOFSA-N 497.086 3.720 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4F)c4ccccn34)CC2)cc1 1858229589 YRHRVHPKHFAJPS-UHFFFAOYSA-N 473.508 3.697 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865033024 PYJFSBZNLBHXEF-JOCHJYFZSA-N 474.561 3.861 10 10 JHCE C[C@@H](NC(=O)CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C)C1CCCCC1 1866249983 WBBJRRRIKRXFSI-CLOONOSVSA-N 453.631 3.947 10 10 JHCE CC[C@@H](NC(=O)Cc1sc(C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866571750 NOWGQPFLFSAPIX-GOSISDBHSA-N 461.543 3.611 10 10 JHCE C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866902315 LDTDEOAHTCJAMZ-OSPHWJPCSA-N 499.542 3.709 10 10 JHCE CCOc1ccc(-c2nc(N3CCC(O)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867998900 SFHVVTKGVHKFBU-UHFFFAOYSA-N 489.620 3.839 10 10 JHCE C[C@@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O 2259378672 AVAQQMNPYAPNQV-OAHLLOKOSA-N 451.564 3.605 10 10 JHCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2296547623 NOLSEPWMJMXKKB-UHFFFAOYSA-N 474.652 3.867 10 10 JHCE Cc1ccc(N2C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1 2297339397 OUTBSTQZNVSGNW-UHFFFAOYSA-N 460.353 3.782 10 10 JHCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 2297560319 OIRSCILWJJECKB-UHFFFAOYSA-N 488.519 3.736 10 10 JHCE O=C(O)CCCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 2314400445 MMEFVYRGMHWDLC-UHFFFAOYSA-N 486.619 3.531 10 10 JHCE CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c2ccccc2O1 8588542 ZLQRBNXMMSMKBO-JOCHJYFZSA-N 450.583 3.878 10 10 JHCE O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c1 14472285 OAWOGTXRYQBUQW-QUZFRVLNSA-N 455.536 3.879 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3F)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)cc1O)Nc1ccccc1-3 21659247 VQROQGJJDVYNCE-JOCHJYFZSA-N 484.487 3.760 10 10 JHCE O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1Cc1cccnc1 33315597 UATZPSFKPFOSQD-VGOFMYFVSA-N 454.314 3.793 10 10 JHCE CCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2CC)c2ccccc21 33431506 UGBMCEUWOAKPJW-NTCAYCPXSA-N 471.298 3.928 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCO)[C@H](C)C1 1760606434 INOKKTATSPMZID-HXUWFJFHSA-N 464.614 3.572 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C)cc4)c4ccccn34)CC2)cc1 1858224766 DKJUOBSBJDSHIN-UHFFFAOYSA-N 469.545 3.866 10 10 JHCE CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870982432 AITATHKFHIIRFR-XMMPIXPASA-N 476.577 3.898 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(CCN(C)C)C2=O)cc1 1873170650 KGVLINYJZZBWBK-UHFFFAOYSA-N 470.617 3.958 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCCc3ccccc3)cc1C2=O 1873892583 ISPLKEBVGSCPID-UHFFFAOYSA-N 485.492 3.675 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)C 2293228311 RFPAVNVWPJKJAO-UHFFFAOYSA-N 459.296 3.911 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1cccc(C)c1 2297345795 CPLACAHRTILQTF-UHFFFAOYSA-N 498.586 3.594 10 10 JHCE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)SC1=S 1239242 ISFHTPGKPRVHDF-ISLYRVAYSA-N 457.964 3.917 10 10 JHCE COc1ccc(OC)c([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)c2cccs2)c1 35963792 PXMUOHVDVCBLJQ-FQEVSTJZSA-N 466.563 3.554 10 10 JHCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39989889 WZYFAWONQBDFPF-VJOZSWGJSA-N 486.663 3.809 10 10 JHCE COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)c(OC)c1 210452359 IOPCHDPUSCESBA-NVMNQCDNSA-N 461.517 3.582 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCSc2nccs2)CC1 1508221034 PDWFXIOKQNQMOZ-UHFFFAOYSA-N 478.047 3.691 10 10 JHCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)cc(-c4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1858540823 NRPTXNCQEDWMDU-UHFFFAOYSA-N 475.593 3.554 10 10 JHCE COc1ccc(N2CCN(C(=O)CCc3c(C)c4ccc(OC)c(C)c4oc3=O)CC2)cc1 1860284262 HPAFKTIBPGXDRG-UHFFFAOYSA-N 450.535 3.708 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864007390 LVFXNVASHLHKJJ-HSZRJFAPSA-N 468.513 3.603 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864012335 XWKNOSCNXDALES-LRTDBIEQSA-N 482.968 3.914 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864016958 AWDGVCBSSWBLMY-NRFANRHFSA-N 492.576 3.991 10 10 JHCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCCC2)=C(N)O3)cc1 1864023175 UZVMOUXVBRXWKG-OAQYLSRUSA-N 490.560 3.650 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028381 SXZKQEOMGXKWLP-WAIKUNEKSA-N 474.561 3.747 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ccc(N(C)C)cc3c2=O)N2CCCCC2)cc1 1866424763 RHBJQHWVSVJIAP-RUZDIDTESA-N 461.610 3.617 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4sc(C)nc4C)n(-c4ccccc4)n3)CC2)cc1 1869970334 JARJKPONMPDMRT-UHFFFAOYSA-N 489.605 3.928 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873164304 VBPWOSHQCSKDPD-UHFFFAOYSA-N 463.541 3.954 10 10 JHCE CC(=O)NCCN1C(=O)C(Nc2cccc(C(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422311 QKTUMJVRNLLWHS-UHFFFAOYSA-N 484.556 3.625 10 10 JHCE COc1ccc([C@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2080037286 YTNBRXSMSYGMAT-INIZCTEOSA-N 481.334 3.742 10 10 JHCE CN(Cc1ccccc1)C(C)(C)CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200968006 QSGBIDNPYCSTAY-FQEVSTJZSA-N 471.598 3.560 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C2=O)cc1 2294028425 INJHASXSJPNZBN-UHFFFAOYSA-N 486.528 3.941 10 10 JHCE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c([N+](=O)[O-])c1 2294229248 AWYVXAUXMDPDFU-UHFFFAOYSA-N 494.504 3.981 10 10 JHCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1 2296055643 UGXAZLCLOTZGJV-UHFFFAOYSA-N 490.589 3.734 10 10 JHCE CCCCOc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OCC 2296707848 RXYFZOMWLMTOFX-HNNXBMFYSA-N 455.623 3.653 10 10 JHCE CCOC(=O)c1c(NC=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)sc2c1CCCC2 2297511624 TYSIHVAGESVBKJ-UHFFFAOYSA-N 453.520 3.691 10 10 JHCE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4cccc(C)c4)C3=O)C2=O)cc1OC 15051242 QVKIGMFSIPHZSY-VXIUPONVSA-N 468.556 3.546 10 10 JHCE COCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33509048 NBNAKDLKMHQEJO-SFQUDFHCSA-N 458.609 3.595 10 10 JHCE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)C[C@@H](C)C2)SC1=S 33812238 TYPRBGJHINBVLY-BFURNPMBSA-N 488.679 3.676 10 10 JHCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 35643724 IBFFIKOTIRTAGU-LROCIMMESA-N 454.529 3.877 10 10 JHCE CCC(=O)Nc1ccc(Cl)c(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 743298636 BREMZSKEXLVYRI-UHFFFAOYSA-N 459.978 3.641 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(F)cc3)CC2)cc1 1862067533 LHHGSYVHFZBFQL-VWLOTQADSA-N 461.537 3.524 10 10 JHCE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862297280 DCDZUSUQFGGHEY-HSZRJFAPSA-N 474.945 3.504 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864007873 WQTKEEXIRZSYGS-QHCPKHFHSA-N 486.503 3.742 10 10 JHCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031683 MATGIUGCKJNHFL-MRXNPFEDSA-N 482.503 3.974 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3cc(C(F)(F)F)ccc3c2=O)c2nccn2C)cc1 1866080855 QWYAQVGUDRUHQP-FQEVSTJZSA-N 469.467 3.866 10 10 JHCE C[C@@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 1867184917 OLFOZZUTWBFUBQ-NYHFZMIOSA-N 490.943 3.725 10 10 JHCE CC(=O)Oc1ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867717202 QUNCLKXGAZEDDZ-RUZDIDTESA-N 494.636 3.530 10 10 JHCE CCc1nc(N2CCN(c3ccc(F)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867954429 XCFYVRJVNREPPO-UHFFFAOYSA-N 476.600 3.840 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 2296885197 IBFFIKOTIRTAGU-UHFFFAOYSA-N 454.529 3.877 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1 2297346082 BBDHMAVCIXXFEO-UHFFFAOYSA-N 460.562 3.751 10 10 JHCE CN(C)c1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Br 2297468026 JFEZEHCVZXWOLA-UHFFFAOYSA-N 455.341 3.578 10 10 JHCE COc1ccc(N2CCN(c3nccnc3SCC(=O)NCCC3=CCCCC3)CC2)cc1 33292956 HAZSGBJZJOEUSM-UHFFFAOYSA-N 467.639 3.911 10 10 JHCE CCCCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 33468430 FYZNBFHACJRWGP-UWCCDQBKSA-N 472.636 3.985 10 10 JHCE Cc1cc(C(=O)CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(C)n1-c1ccc(F)cc1 62694652 ZDHLRMYKTKFMOW-UHFFFAOYSA-N 463.509 3.603 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3cc4ccccc4o3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 86076804 SGAGZZFBJWBNMG-UHFFFAOYSA-N 465.487 3.887 10 10 JHCE COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C\C(=O)N1C[C@H](C(N)=O)Oc2ccccc21 96817353 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450.589 3.879 10 10 JHCE CN1CCc2cc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)ccc21 2140778867 QSVBQQYYGIINQG-UHFFFAOYSA-N 462.635 3.967 10 10 JHCE C[C@H](C(=O)Nc1ccc(O)c(C(=O)O)c1)N1C(=O)C(=Cc2ccccc2Cl)SC1=S 2297500758 DVFNXLPRMLNTJJ-SNVBAGLBSA-N 462.936 3.972 10 10 JHCE O=C(O)CN1C(=O)C(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 2313532993 GHYLAJVFVPSXKY-UHFFFAOYSA-N 461.433 3.581 10 10 JHCE Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 20368138 PKNQQRGWNIHGLG-NBGIEHNGSA-N 499.658 3.844 10 10 JHCE CCN(CC)c1ccc(CN(CC(C)C)C(=O)COC)c(OS(=O)(=O)c2ccc(OC)cc2)c1 37422463 IHUNHAOSJQIVOW-UHFFFAOYSA-N 492.638 3.940 10 10 JHCE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)C(=O)NC1=S 1084640001 QGKDAANMHOYTJE-UYRXBGFRSA-N 481.578 3.639 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](C)N(C)C)C1 1595967555 AVSOAVDFWGEGKV-NZQKXSOJSA-N 477.657 3.607 10 10 JHCE CCC(=O)c1ccc2c(c1)N(Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)[C@@H](C)O2 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482.968 3.771 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864012361 YHEBIGYBFRNXOU-QFIPXVFZSA-N 480.540 3.647 10 10 JHCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864017957 ZFHSQAJVEPOYHF-HXUWFJFHSA-N 482.968 3.966 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCC(Cc3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1 1865026004 HTMKHHAFNCCGRH-DEOSSOPVSA-N 488.588 3.799 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865028770 XVZAOEKIPFSYGW-KXNSMUHISA-N 474.561 3.791 10 10 JHCE CSc1ncc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=NC2CCCC2)[nH]1 1866051558 AWNZQIHEKKPFSA-HSZRJFAPSA-N 482.698 3.998 10 10 JHCE Cc1ccc(-n2nc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)cc2C)cc1Cl 1866288485 UXNLCSHYKHFZRQ-HSZRJFAPSA-N 490.995 3.822 10 10 JHCE C[C@@H](CC(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 1867184918 OLFOZZUTWBFUBQ-OYHNWAKOSA-N 490.943 3.725 10 10 JHCE CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867357111 FKBXGAQMECGLQA-JWQCQUIFSA-N 495.624 3.903 10 10 JHCE CSc1ccccc1C(=O)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2040496864 VYBDHDDFTVGJIF-UHFFFAOYSA-N 458.586 3.768 10 10 JHCE CCCCCCN1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 2040498062 BEOQYAJJVZDJGB-UHFFFAOYSA-N 499.706 3.926 10 10 JHCE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1OC 2313549335 TXPXPHKITPIJBF-UHFFFAOYSA-N 473.323 3.561 10 10 JHCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@@H]5CC[C@@H](C)C[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 20740029 YUSXHOLQWZJZER-ZPMCFJSWSA-N 478.549 3.856 10 10 JHCE CS(=O)(=O)Oc1ccc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1Cl 33448204 OAHJWZRSZIDULI-CLGIPHTBSA-N 474.951 3.540 10 10 JHCE NC(=O)[C@H]1CN(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)c2ccccc2O1 96585345 BNZAJKQOZGQDNX-BIGNBACZSA-N 456.527 3.894 10 10 JHCE Cc1cc(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 106281413 WDCKBXOQANKTON-SFHVURJKSA-N 465.594 3.976 10 10 JHCE CC(=O)N1CCC(NC(=O)CSC2=NC(=O)/C(=C\c3csc4ccccc34)S2)CC1 1559419191 UERBSVPEAWTFMW-VCHYOVAHSA-N 459.618 3.732 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3sc(-c4ccc(F)cc4)nc3C)cc2)CC1 1634074465 OGYIBRQLDROIBY-UHFFFAOYSA-N 452.555 3.856 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865026020 IBEPEXMTBYQEMS-HSZRJFAPSA-N 492.551 3.743 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1865027473 YUJFSIHWXZIWOS-QHCPKHFHSA-N 476.577 3.831 10 10 JHCE Cc1ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867885783 MCDANSMBJKGUBM-PXDATVDWSA-N 450.627 3.831 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868699140 GGLBYIGOJINXOI-HSZRJFAPSA-N 458.002 3.943 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)C3CCCC3)CC2)cc1 1868892042 YHKLFXSHWHYAFG-HFZDXXHNSA-N 463.622 3.898 10 10 JHCE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(C)cc1 2297345395 SJPXDPWVPUGUHF-UHFFFAOYSA-N 498.586 3.594 10 10 JHCE CCOc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1 2297561307 XEROZBLVGFXLEZ-UHFFFAOYSA-N 484.599 3.729 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2314414804 MYCZWNRJVWIRMC-UHFFFAOYSA-N 460.625 3.843 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccccc4)cc3C(=O)O)CC2)cc1 33253110 ZAFQMZFFAQBVQW-UHFFFAOYSA-N 467.547 3.521 10 10 JHCE C=CCc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(OC)c1OC 34107198 ZJANICDNNSGZCK-UYRXBGFRSA-N 470.572 3.987 10 10 JHCE CCN1C(=O)C(=c2sc(=C3C=Cc4ccccc4N3CC)c(=O)n2-c2ccccc2)SC1=S 254440125 AYEKJLFRBWKNOC-UHFFFAOYSA-N 491.663 3.549 10 10 JHCE CC[C@@H](NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C)c1cccc(S(N)(=O)=O)c1 729230184 GRQXALAYGBCBJO-HSZRJFAPSA-N 454.596 3.735 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4ccc(Br)cc4)n3)CC2)cc1 1519574329 CAKGVSRJZAQXOT-UHFFFAOYSA-N 455.356 3.914 10 10 JHCE CNc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Nc2ccccc2)c(F)c1N 1858181026 DKHUHGSFMOHVGH-UHFFFAOYSA-N 477.540 3.880 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)Cc4ccccc4C)cn3)CC2)cc1 1858433632 RIJILJRSLBDJEC-UHFFFAOYSA-N 452.580 3.667 10 10 JHCE C[C@@H](NC(=O)Cc1ccc(Br)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858768451 JJCPGQHHHZAZJT-GFCCVEGCSA-N 497.370 3.972 10 10 JHCE CCCC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862290860 BKZVHJYFXCISNG-NRFANRHFSA-N 488.972 3.894 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865033459 AGGIXAXDUJEASM-HXUWFJFHSA-N 478.549 3.553 10 10 JHCE CCOc1ccc(-c2nc(N(CC)CCO)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867993955 ZXIOVUICJBZNAF-UHFFFAOYSA-N 477.609 3.696 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 1868713195 NAIJDUMHYGIFMP-UHFFFAOYSA-N 493.554 3.960 10 10 JHCE Cc1nc(I)c(I)n1CCCc1ccc(N)cc1 2028591342 SAVSQVIBCMITMU-UHFFFAOYSA-N 467.092 3.616 10 10 JHCE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 2294095468 RYCBWKLFBLPJPU-UHFFFAOYSA-N 456.454 3.939 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3[nH]c4ccccc4c3CCN(CC)C(C)=O)C2=O)cc1 2296342627 GLOHIMLWMTXUGX-UHFFFAOYSA-N 488.544 3.644 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2296540708 IKJZOSHZSFGXNE-NUJGCVRESA-N 498.674 3.865 10 10 JHCE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)ccc1OCc1ccccc1 2297345462 YINFPLLXSROTDL-UHFFFAOYSA-N 498.586 3.676 10 10 JHCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 2314831141 DEIFPLUQMXTQNN-UHFFFAOYSA-N 494.635 3.924 10 10 JHCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1cccc(OC(F)F)c1 10673449 WMFJKXLTDSFYKJ-RQZCQDPDSA-N 478.498 3.648 10 10 JHCE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc3c(c2)OCO3)SC1=S 40066454 STXGZFJAILJOOB-OCKHKDLRSA-N 482.587 3.610 10 10 JHCE CCCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 40938210 CSWQPBOUURFIDN-NXVVXOECSA-N 483.409 3.730 10 10 JHCE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N2CCOCC2)c(F)c1 1705480990 XRXDPYANGQVERV-OAHLLOKOSA-N 487.377 3.518 10 10 JHCE 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CC(=O)N1CCN(c2ccc(CNC(=O)Cc3csc([C@H]4CC[C@H](C)CC4)n3)cc2)CC1 1638587013 HRHLMOAGEFUNFC-XGAFWQRZSA-N 454.640 3.964 10 10 JHCE CC[C@H](Oc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1)C(=O)O 1772761125 XDODWDAISKLYNN-ABUGPWQVSA-N 471.556 3.826 10 10 JHCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 1858128169 XGSYUFVGRPNONP-UHFFFAOYSA-N 464.587 3.875 10 10 JHCE CC(C)OC(=O)c1ccc(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1 1858683952 BMPUKDWGVOZKFI-UHFFFAOYSA-N 464.478 3.857 10 10 JHCE CCCC[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862244831 TZAXBPRKXGWJGP-QHCPKHFHSA-N 474.001 3.751 10 10 JHCE COc1cc2[nH]c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)c2cc1OC 1866543185 JQBGAKXBVNBCCE-UHFFFAOYSA-N 454.438 3.573 10 10 JHCE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866821998 PPPODLMYBHHKSW-HOTGVXAUSA-N 458.489 3.923 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868700624 YWDBYORKRPHEKW-NTKDMRAZSA-N 455.574 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CC1=NN(c2ccccc2)C(=O)C1=CN=c1cccc(NC=C2C(=O)N(c3ccccc3)N=C2C)[nH]1 2297321182 SYBRAXQQUDMXMT-UHFFFAOYSA-N 477.528 3.941 10 10 JHCE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)C[C@H](C)O1 2314399941 FFPKOLNBYKHXLA-IRXDYDNUSA-N 492.626 3.710 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCCC(=O)NC[C@H](c3ccco3)N(C)C)C2=O)cc1 2314625159 GQLIMLQHXQBXLZ-GOSISDBHSA-N 473.620 3.689 10 10 JHCE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1O 2314831691 PXQRVYMECVHURN-UHFFFAOYSA-N 474.560 3.735 10 10 JHCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)Nc3nccs3)c3ccccc23)SC1=S 2326945335 VPSHXZQCDAYPLV-UHFFFAOYSA-N 486.600 3.803 10 10 JHCE CCC(=CC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329538679 RTCDCZDVGSILRP-UHFFFAOYSA-N 465.594 3.741 10 10 JHCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1 13643998 KKBJKUMSEJVIND-RQTOMXEWSA-N 452.624 3.515 10 10 JHCE CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(CCC(=O)O)nc1-c1cc2ccccc2oc1=O 20032121 XAJHCLGSUPFAME-ZHZULCJRSA-N 468.469 3.937 10 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CC(=O)c1cc(F)cc(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)c1O 1192081351 WSPQFURRFDCNGJ-ZDUSSCGKSA-N 450.308 3.742 10 10 JHCE CC(=O)c1ccc(CNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)nc1C 1596332825 SUISAXMBQCQBTL-ODLFYWEKSA-N 457.552 3.639 10 10 JHCE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCSc1nccs1 1705490329 IGNXKEFUMRXIKD-CQSZACIVSA-N 451.581 3.691 10 10 JHCE CCOc1cc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc(OCC)c1OCC 1860793310 HSJOMXXUJUPVAL-BKUYFWCQSA-N 480.590 3.628 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864021104 KJDWWKRJYNIFRJ-IBGZPJMESA-N 468.579 3.585 10 10 JHCE Nc1ccc(Cc2ccc(NC(=O)CN3C(=O)c4ccc(Br)cc4C3=O)cc2)cc1 1866023262 LHKWNKKJNNSXEO-UHFFFAOYSA-N 464.319 3.857 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)c2nccn2C)cc1 1866078655 IKHSYBIYNVCOSS-IBGZPJMESA-N 469.467 3.866 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3ccccc3)N(C)C)c3ccccc3)CC2)cc1 1868675239 CVHKQPRDVOJYCQ-SXOMAYOGSA-N 486.616 3.504 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970388 PIYWNOMHCKNZKB-UHFFFAOYSA-N 498.587 3.792 10 10 JHCE COc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873422466 YPPXTXZBIZOHRP-UHFFFAOYSA-N 486.572 3.739 10 10 JHCE C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2cc(O)nc(O)c2)CC1 1952431818 PTUHMJILFBBJPR-VWLOTQADSA-N 460.486 3.906 10 10 JHCE O=C(O)CCN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2296256006 JYKBYUOIGFNNKM-UHFFFAOYSA-N 487.946 3.816 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OC 2297331238 WDDQBFQMBHLELE-UHFFFAOYSA-N 459.296 3.831 10 10 JHCE CCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S 33467331 IJAORGCZPZVWEX-GHRIWEEISA-N 460.625 3.843 10 10 JHCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCc4ccccc4)[C@@H]3C2)cc1 35871662 XETUJKCQSOJMKH-BDYUSTAISA-N 457.574 3.888 10 10 JHCE COc1ccc(C2=NN(C(=O)CSc3nnc(N)s3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 72413262 LIGQQOXHMFUTKP-LJQANCHMSA-N 468.608 3.665 10 10 JHCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1-c1ccccc1F 96460968 RQTJOFPABYBXCM-HTYYESGYSA-N 473.555 3.633 10 10 JHCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(\C)Nc2ccc(S(N)(=O)=O)cc2)cc1 205968984 NGGWIZMPZLMMDF-PXLXIMEGSA-N 480.521 3.619 10 10 JHCE Nc1cc(OCc2ccccc2)c(N)c2c1C(=O)c1c(N)cc(OCc3ccccc3)c(N)c1C2=O 206678836 QTQDAJFRGQHCKZ-UHFFFAOYSA-N 480.524 3.949 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccc(F)c3)CC2)cc1 1862068268 PKWKQJLZLXAOMP-VWLOTQADSA-N 479.527 3.663 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864017556 OXEKROSBOSCNMM-JOCHJYFZSA-N 486.528 3.758 10 10 JHCE C[C@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867237087 YPQYFEKJCFWUNJ-JKSUJKDBSA-N 466.493 3.666 10 10 JHCE COCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C2CCCCC2)C1=O 2053516050 VZYUCMLCYPSNBA-UHFFFAOYSA-N 458.609 3.595 10 10 JHCE COc1ccc([C@H](n2nc(C3CC3)c(CO)c2I)C2(C)CC2)c(O)c1 2080023630 CLSJWNQEPPQOBJ-KRWDZBQOSA-N 454.308 3.961 10 10 JHCE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2169012765 HZUDUBAQFMELTL-QGZVFWFLSA-N 476.618 3.682 10 10 JHCE CCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(Br)ccc21 2296711364 RGEUYIDDMXQIEI-UHFFFAOYSA-N 455.399 3.814 10 10 JHCE CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 2297060195 IDONCIXJHONPDF-UHFFFAOYSA-N 457.328 3.874 10 10 JHCE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 2297307414 KOWFRUBMSHYORP-UHFFFAOYSA-N 466.833 3.546 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4C)c3C)C(=N)N21 2297345485 BBRNSIOTROJRGT-UHFFFAOYSA-N 469.592 3.722 10 10 JHCE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 2297366557 AXGRXXDVBKCUSH-LJQANCHMSA-N 484.556 3.704 10 10 JHCE Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314399627 AEZDMTGTKQBWJD-HZPDHXFCSA-N 484.647 3.760 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccc(F)c3)c3ccc4c(c3)OCO4)CC2)cc1 16953875 ZTEXDPFAAIOZME-DEOSSOPVSA-N 477.536 3.856 10 10 JHCE Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 20356340 KLJVJVHXRXKANV-QCYUAWMTSA-N 459.531 3.887 10 10 JHCE COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)c2C)c1 20356370 NEXJGJZJGHYHHE-SCORJZKRSA-N 478.578 3.784 10 10 JHCE Cc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 101346676 FEQYHASANUSOAO-PXLXIMEGSA-N 490.541 3.683 10 10 JHCE COc1ccc(N2C(=O)/C(=C/c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)c(OC)c1 210445854 IJJPIOGBDJRAEL-ODLFYWEKSA-N 475.544 3.972 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc4ccccc4c3C(F)(F)F)cc2)CC1 1138228678 HRNRWPSQWRMGNL-UHFFFAOYSA-N 456.468 3.852 10 10 JHCE CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1862054737 ZPYIGTCDMYSNRP-AREMUKBSSA-N 473.573 3.914 10 10 JHCE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864016607 UBASNGGVHKWEBF-QHCPKHFHSA-N 494.551 3.983 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864021865 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DKXJASJZIZXTHA-CQSZACIVSA-N 495.175 3.918 10 10 JHCE CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCCSc2nccs2)CC1 1301748522 HOZRBXMKOOEQRI-UHFFFAOYSA-N 470.668 3.761 10 10 JHCE COc1ccc(-c2cc3ccc(OCC(=O)NCCc4ccc(O)c(O)c4)cc3oc2=O)cc1OC 1860256496 DRJNWMLDWHSMBC-UHFFFAOYSA-N 491.496 3.626 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Cc4ccccc4[N+](=O)[O-])CC3)cccc21 1860597929 XYULCGDOJQHHJF-UHFFFAOYSA-N 497.507 3.790 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@@H]2c1ccc(O)c(O)c1 1864016319 MFLDIDQWLBRJRX-OAQYLSRUSA-N 486.528 3.975 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccccc5)ncnc4n3C)CC2)cc1 1875195844 XBVMKZULXDNDBS-UHFFFAOYSA-N 456.550 3.551 10 10 JHCE C/C(C=C1SC(=S)N([C@@H]2CC(=O)N(CCCCCC(=O)O)C2=O)C1=O)=C/c1ccccc1 2045131549 KRBIUBQLRKODFF-ZJWTWGDNSA-N 472.588 3.607 10 10 JHCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1ccccc1F 2332141260 NFEKTCFYBMJYRR-UHFFFAOYSA-N 451.332 3.849 10 10 JHCE Cc1ccc(CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F)c(O)c1Br 2380750802 XURKPMNHJPSKTD-INIZCTEOSA-N 455.271 3.925 10 10 JHCE CCN(CC)c1ccc(CN(C)C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 9932500 YAKXVKCNKGKADL-UHFFFAOYSA-N 472.383 3.940 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)cc1OC(C)=O 13914122 RGBYPEBZZJYWBZ-PXNMLYILSA-N 473.279 3.887 10 10 JHCE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c(C)n1-c1ccc(F)cc1 15931541 SZFGRBKYNGCJGG-UHFFFAOYSA-N 477.508 3.658 10 10 JHCE N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356670 RZBUSQBQVNDETH-YBVABLQOSA-N 499.955 3.967 10 10 JHCE CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(I)c1O 103490199 UGOHMJSIMSSSLH-VIZOYTHASA-N 492.269 3.900 10 10 JHCE Cc1cc(Nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2)nc(N2CCCC2)n1 585428657 AZTJOHOPDRFDCA-UHFFFAOYSA-N 467.580 3.934 10 10 JHCE CC(=O)c1cc(CNC2(c3ccc(Cl)cc3)CCOCC2)c(O)c(CN2CCOCC2)c1 730933389 ZNSBLJDJRSRKIU-UHFFFAOYSA-N 458.986 3.876 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)c(Cl)c1O 1084276292 YVKPJMYDGLJWOI-WDZFZDKYSA-N 469.650 3.622 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3Br)cc2)CC1 1447705112 BLHJGKPDQKTVBG-UHFFFAOYSA-N 450.764 3.701 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)ccc4C)cn3)CC2)cc1 1858429218 JEENMRUDTBHRQF-UHFFFAOYSA-N 452.580 3.834 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012334 XWKNOSCNXDALES-ASSNKEHSSA-N 482.968 3.914 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865025590 AEQRTTMJIUUISG-CMJOXMDJSA-N 492.551 3.886 10 10 JHCE CC(=O)NCCN1C(=O)C(NCCCc2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170726 NNYBOYGXENKOSD-UHFFFAOYSA-N 484.600 3.533 10 10 JHCE Cc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079046644 CFBLINISRIVOKU-CYBMUJFWSA-N 451.230 3.979 10 10 JHCE COc1ccc([C@@H](C2CCC2)n2nc(C(F)F)c(C(N)=O)c2I)c(O)c1 2079860013 DCRMXDZKWUNVLE-CQSZACIVSA-N 477.249 3.628 10 10 JHCE CC(C)(C)OC(=O)NC[C@]12C[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2272654343 CKQPBMDPTBYEHQ-CPJLOUKISA-N 458.603 3.913 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(I)cc1 2313559856 YZWPSZIILDBBRW-UHFFFAOYSA-N 497.086 3.720 10 10 JHCE Cc1ccc(CN(C)S(=O)(=O)C2CC(OCc3ccccc3)C2)c(O)c1Br 2381129371 JMBWKWOCFOFVAG-UHFFFAOYSA-N 454.386 3.973 10 10 JHCE C[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 15034521 PZNLVYALVSFMQT-HFFMPALZSA-N 467.160 3.592 10 10 JHCE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(SCc4ccco4)o3)C(=O)N=C2S1 20239084 MMFMZDVYNBKUNS-ZKSCCFDSSA-N 478.577 3.812 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 33516601 UHOVFDYQZNTITB-AQTBWJFISA-N 450.589 3.879 10 10 JHCE COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)c(OC)c1 59596048 MOOWVISPJOPQJU-DEDYPNTBSA-N 461.543 3.943 10 10 JHCE COc1ccc(N2CCN(C(=O)c3c4c(cn(-c5ccccc5)c3=O)C(=O)CC(C)(C)C4)CC2)cc1 65000641 AZOHWENPIWDDED-UHFFFAOYSA-N 485.584 3.964 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4C)cs2)c1 170549582 XIYZYXLKNKRDAR-UHFFFAOYSA-N 473.576 3.882 10 10 JHCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@H]1c1ccc(O)c(O)c1 526480957 PMTZNGCBOMPBCN-HSZRJFAPSA-N 477.469 3.959 10 10 JHCE C/C(=C\C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cccc(C(F)(F)F)c1 1617142784 JEGRIVCJMDBBJL-DTQAZKPQSA-N 452.498 3.660 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3c(F)cccc3Cl)CC2)cc1 1862304896 WUMCPCLNLVLGRO-FQEVSTJZSA-N 480.005 3.688 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018270 HJPSEIHYIGIZBJ-JOCHJYFZSA-N 494.567 3.901 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868710515 UNGYSGAEYSCSLA-XMMPIXPASA-N 467.610 3.607 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C(C)=C/c3ccccc3Cl)CC2)cc1 1868747725 XBUMICSENODMOF-ISLYRVAYSA-N 455.986 3.996 10 10 JHCE C=Cc1ccccc1OCC(=O)N[C@H](CCCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869050895 JDQILSNBCOWUDB-XMMPIXPASA-N 465.594 3.741 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(F)c(F)c3)n4C)CC2)cc1 1873650757 UOSRIJSVNYQFCH-UHFFFAOYSA-N 478.503 3.834 10 10 JHCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccn3)ncnc21 1875205913 CVFFYFRIXXOJOW-UHFFFAOYSA-N 485.592 3.819 10 10 JHCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2C)cc1 2293744111 BDDXHHDQEWXEOL-UHFFFAOYSA-N 487.512 3.946 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 2297352807 YPWVPGDFFXVEIQ-UHFFFAOYSA-N 468.970 3.656 10 10 JHCE N=C1C(=Cc2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 2297500066 IGIYPXIRHADJTL-UHFFFAOYSA-N 453.505 3.984 10 10 JHCE O=C(NCCC(=O)N1CCc2cc(O)c(O)cc2C1)OCC1c2ccccc2-c2ccccc21 2302400843 BLMBZYIRODTIRM-UHFFFAOYSA-N 458.514 3.911 10 10 JHCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=S 2314541356 KJKBDGMEQPNPMH-INIZCTEOSA-N 490.990 3.839 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=Cc3ccc(Cl)cc3Cl)CC2)cc1 2330422814 DYOTXRQHKJKJHY-MRXNPFEDSA-N 462.377 3.869 10 10 JHCE COc1ccc(N2CCN(CN3C(=O)C4(O[C@H]5CCCCC[C@@H]5O4)c4ccccc43)CC2)cc1 20428372 ITBWGQSQTBSMAF-DQEYMECFSA-N 463.578 3.722 10 10 JHCE COCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 33916607 YLULCGINMSSHEL-KNTRCKAVSA-N 480.615 3.587 10 10 JHCE CCN(CC)c1ccc(CN(CCN(C)C)C(=O)CCc2ccccc2)c(OS(=O)(=O)CC)c1 34921507 KLOKKYUOOIIJAX-UHFFFAOYSA-N 489.682 3.784 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 35331219 DXNAAWKMBWLQRF-FOWTUZBSSA-N 473.963 3.988 10 10 JHCE CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cs1 917641885 CNCRMYKDEVMYMT-LDADJPATSA-N 492.623 3.500 10 10 JHCE COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)c1 1084629501 BZRKUHGJRCEUKJ-XNTDXEJSSA-N 459.296 3.750 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccncc2)sc(C)c1-c1ccc(OCC)cc1 1860762884 UWBIPUADHNDEGD-UHFFFAOYSA-N 467.547 3.949 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018066 BUATZJHPSHZFMQ-JOCHJYFZSA-N 494.567 3.901 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864022295 LHUYEFMICHCMEM-AXAPSJFSSA-N 480.487 3.723 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(C)cc1 1865179502 HIKVARKUBYJEGA-DEOSSOPVSA-N 487.604 3.572 10 10 JHCE CCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546134 DBNJQOWLMCQEIF-PMACEKPBSA-N 476.625 3.905 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(=O)O 2294124602 CYSZFYWXGOXELG-SNVBAGLBSA-N 479.272 3.520 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(SCc4ccc(Cl)cc4)o3)C(=O)N=C2S1 2297350037 OURAXHVTNUAKOB-UHFFFAOYSA-N 480.980 3.847 10 10 JHCE CCCCN1C(=O)C(=CNc2cc([N+](=O)[O-])ccc2OC)C(=O)N(CCc2ccccc2)C1=O 2297454706 BYXIGOYZLRCCKY-UHFFFAOYSA-N 466.494 3.733 10 10 JHCE COCCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S 2297560274 JYVAAINHIGYNBI-UHFFFAOYSA-N 453.951 3.616 10 10 JHCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2314414136 QMGHSPLXHDRFQM-INIZCTEOSA-N 470.620 3.738 10 10 JHCE Cc1ccc(C=C2SC(=S)N(CCC(=O)NCCc3nnc(-c4ccccc4)o3)C2=O)cc1 2314913657 NQHRNRUGTYEZCM-UHFFFAOYSA-N 478.599 3.995 10 10 JHCE Cc1ccc(CN(C)C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)c(O)c1Br 2380790555 RWUDBVJPZUTBFW-LBPRGKRZSA-N 451.308 3.970 10 10 JHCE COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 8608564 WJJANDBOMCASEY-RUZDIDTESA-N 451.592 3.844 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C)n1-c1ccccc1 62694387 LQTDAVDXLYJSQH-UHFFFAOYSA-N 478.039 3.998 10 10 JHCE COc1ccc(N2CCN(c3cc(SCC(=O)NCCC4=CCCCC4)ncn3)CC2)cc1 65133780 GRFHVQKQQNNMNH-UHFFFAOYSA-N 467.639 3.911 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)N4CCCC[C@H]4C)cc3C)CC2)cc1 743313063 AUNUIXNHRLDGRL-JOCHJYFZSA-N 493.652 3.962 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)CC2)cc1 746725226 CZMAODWYWCMEHG-HSZRJFAPSA-N 474.552 3.795 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](C)N(C)C)CC1 1722746547 ZONDVRGZBSOELD-HXUWFJFHSA-N 477.657 3.750 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4)cs2)cc1OC 1859573096 FEJQLFLXPNYUIY-UHFFFAOYSA-N 459.549 3.858 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864016113 HTJRLGPTTHBZMO-QFIPXVFZSA-N 497.555 3.956 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865026901 SOTDLAIKXPCITI-QHCPKHFHSA-N 492.551 3.743 10 10 JHCE Cc1ccccc1-n1nc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=O)cc1C 1866282427 BFLMBFKVEPGNSD-RUZDIDTESA-N 473.621 3.872 10 10 JHCE CC(C)(NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867175831 SDBJZKIKOLOOIL-UHFFFAOYSA-N 480.480 3.659 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H](C)c3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873168563 ZTHFMXFDIUFLBK-HSZRJFAPSA-N 498.627 3.857 10 10 JHCE CCOC(=O)COc1c(Cl)cc(C=C2SC(=O)N([C@H](C)C(=O)OCC)C2=O)cc1Cl 2294143593 OZJACFFQVWETLG-SNVBAGLBSA-N 476.334 3.923 10 10 JHCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14459374 CDFOYIICWQLMLG-ZEMPLXOASA-N 456.564 3.685 10 10 JHCE CCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 33586167 MKQCXWSHTZSGNN-OBGWFSINSA-N 450.589 3.960 10 10 JHCE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 33767668 SCSBUCIPQUTPDI-WKCGMSKDSA-N 453.483 3.968 10 10 JHCE CCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 40938826 NFYJJKYFCPRIMI-XDJHFCHBSA-N 476.620 3.622 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)NC3CCCCC3)CC2)cc1 64862291 LZEFGEHXUCBCGV-UHFFFAOYSA-N 498.649 3.611 10 10 JHCE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N12 96450622 HDVJZBLVMGSGQL-HINGXDCCSA-N 452.517 3.934 10 10 JHCE CN(C)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccc(Cl)c1 586223030 HQNHFPFKDNCPCK-UHFFFAOYSA-N 468.962 3.872 10 10 JHCE COc1ccc(N2CCC(NC(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)CC2)cc1 727383523 VCRJBZCKNDVSDS-UHFFFAOYSA-N 464.610 3.744 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4ccc(C)cc4)c(O)n3)CC2)cc1 1858514959 FWDWLBWCBZWZQL-UHFFFAOYSA-N 464.591 3.916 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4C)c(C)s2)c1 1859574360 YXKBRDTVMQEEGM-UHFFFAOYSA-N 473.576 3.846 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867850211 VPDDVWDTDSQQLZ-HSZRJFAPSA-N 454.590 3.744 10 10 JHCE CCOCCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165148 DQWUONFTRHRPFQ-UHFFFAOYSA-N 453.583 3.615 10 10 JHCE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2040498095 CBIORHWQXDOQIW-QGZVFWFLSA-N 480.615 3.587 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C)cc1 2293488689 QWOLTQTVADBTRU-UHFFFAOYSA-N 476.485 3.716 10 10 JHCE CCOC(=O)[C@H](C)N1C(=O)SC(=Cc2cc(Br)c(O)c(Br)c2)C1=O 2293990361 UBDUFKLYZIYFLW-ZETCQYMHSA-N 479.146 3.905 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(I)c1 2297550364 UNSNJYNPHNWOBU-UHFFFAOYSA-N 469.076 3.515 10 10 JHCE Cc1ccc(CNC(=O)C[C@@H](CNC(=O)OC(C)(C)C)C(F)F)c(O)c1Br 2380748360 DHSPQEHCCGGWLQ-LBPRGKRZSA-N 451.308 3.875 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1nccs1 15038890 DGTARWWLCCHVAG-WQLSENKSSA-N 470.395 3.841 10 10 JHCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OC)cc1)C[C@@H](c1cccc(OC)c1O)N2 65298231 ASKNPXREEQUYLS-NRFANRHFSA-N 453.539 3.882 10 10 JHCE biogenic O=C(O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc3ccccc23)C(=O)N=C1O 103122711 ZTJZKQXALGIUSZ-PHJXOXRPSA-N 468.469 3.914 10 10 JHCE Cc1cc(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2 110690956 AGJQAVRSIMFJLO-VWLOTQADSA-N 474.605 3.584 10 10 JHCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3c(Cl)ccc4ccccc34)cc2)CC1 1189193067 XFOCOFDQBPIFJO-UHFFFAOYSA-N 457.983 3.640 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3ccc(Br)cc3)cc2)CC1 1296400843 UKMBQBGXQJSRSB-KRWDZBQOSA-N 458.400 3.613 10 10 JHCE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(N(C)C)cc1C 1705592010 OFRBLGKFUYWNOA-UHFFFAOYSA-N 465.399 3.921 10 10 JHCE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705721504 FKGZKOSQLLXMAW-NRFANRHFSA-N 489.668 3.965 10 10 JHCE CCN(CC)c1ccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1 1860716960 MMHBKEBAONMRLG-UHFFFAOYSA-N 485.610 3.667 10 10 JHCE COc1ccccc1C(=O)N1CCN(Cc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)CC1 1860923630 FOZZJMHGOZFRLZ-UHFFFAOYSA-N 472.589 3.972 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017586 PIWBCLBOSAMBHG-NRFANRHFSA-N 462.550 3.765 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864020613 DWDHMFGYLXDUTK-HXUWFJFHSA-N 482.606 3.628 10 10 JHCE CCC[C@@H](NC(=O)c1cc(C2CC2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867151212 GLBSBLZQZMYNDB-LJQANCHMSA-N 457.486 3.865 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 1867653019 VUDSRQSFNPCKSP-SANMLTNESA-N 458.606 3.979 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)n1 1869140338 DLTXQPLVSCYQAG-SANMLTNESA-N 461.614 3.857 10 10 JHCE CCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870345720 KGYYWTCEJFYYCV-UHFFFAOYSA-N 451.542 3.917 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 2296881674 VLEXAXDGUBBUMK-UHFFFAOYSA-N 473.532 3.929 10 10 JHCE O=C1C(=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2N1CN1CCOCC1 2313617623 OPTOYBZSKVISPX-UHFFFAOYSA-N 471.991 3.752 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2328566108 ZFGVNAJNZZAPIX-JOCHJYFZSA-N 472.010 3.612 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)/C=C/c4ccccc4)n3)CC2)cc1 9651299 BBSXYDWMOQQOJR-KPKJPENVSA-N 462.575 3.695 10 10 JHCE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccccc1F 20154817 XPDPMEXAIDYVEF-MTLBIAMWSA-N 470.507 3.993 10 10 JHCE Cc1ccc(N2C(=O)/C(=C3\C(=O)N(CN4CCOCC4)c4ccccc43)SC2=S)c(C)c1 33467914 CFYXTFJROFYGGO-QZQOTICOSA-N 465.600 3.716 10 10 JHCE Cc1cc(/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 34898194 XTPDRCNAOTUJMA-STZFKDTASA-N 459.527 3.966 10 10 JHCE CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(C)cc4)N=C3C)cc2)s1 101114360 HMJJIRDDIXEIIN-CPNJWEJPSA-N 482.591 3.928 10 10 JHCE CC[C@@](C)(NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861999264 CVEKGNLSJJSQJS-FUFSCUOVSA-N 492.664 3.541 10 10 JHCE CC[C@@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862258035 STBIDGFIWGDEIH-XMMPIXPASA-N 453.583 3.587 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864009467 HXZBVKVIIASVIW-OAQYLSRUSA-N 482.968 3.923 10 10 JHCE CCc1sc(NC(=O)[C@@H](N)CCC(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866020246 MFEYWPQBZYSXEM-LBPRGKRZSA-N 469.357 3.657 10 10 JHCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421215 MBJBFTOTZKLARP-UHFFFAOYSA-N 458.562 3.856 10 10 JHCE COc1ccc(Br)c(CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)c1O 2236054521 JIVWRDKGBLOEID-LLVKDONJSA-N 451.308 3.898 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400923 RHWCTZNBDCJFQA-HOTGVXAUSA-N 472.636 3.700 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 1752150 ORYMHSJUHOJTEU-SFQUDFHCSA-N 496.035 3.608 10 10 JHCE Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@@H]2c1ccc(O)c(O)c1 21659082 VUSJTFQMFQVEAN-HSZRJFAPSA-N 480.524 3.929 10 10 JHCE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 33303597 KCXLQNPDBCWAOR-FMQUCBEESA-N 452.557 3.989 10 10 JHCE CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 34982620 ZFFQAJDSGZZFFD-LZNAANCOSA-N 477.585 3.512 10 10 JHCE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccccc2)SC1=S 40066389 MANUULUULGIWSL-UYRXBGFRSA-N 452.605 3.924 10 10 JHCE CN(C)c1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CSc2nnc(N)s2)cc1 72413296 LGPJRJHZRCSYDV-GOSISDBHSA-N 456.572 3.795 10 10 JHCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=N)N21 96460859 UFCYYNIZIDLCNG-JNTYBJLZSA-N 486.550 3.805 10 10 JHCE CN1/C(=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)N(C)c2cc(Cl)ccc21 103832635 CWYZKJWRWUSWHT-JHHGQVAESA-N 459.980 3.951 10 10 JHCE CCCOc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(CC(N)=O)C1=O 727176091 GJAVGLJITFJPOS-WZUFQYTHSA-N 494.230 3.687 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3O)c2)CC1 1556219304 YBHCISLZQKGYFC-UHFFFAOYSA-N 454.527 3.660 10 10 JHCE O=C(NCCc1ccc(O)c(O)c1)[C@@H](Cc1ccc(Cl)cc1)N1Cc2ccccc2C1=O 1860216256 IKSBJZIQBJHCIX-OAQYLSRUSA-N 450.922 3.677 10 10 JHCE CCc1sc(NC(=O)C(=O)NCCCN(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764121 ZYXKHJDUVPBDKA-UHFFFAOYSA-N 496.427 3.533 10 10 JHCE NC(=O)COc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871119471 ZRJGRJXCPRETOT-UHFFFAOYSA-N 464.566 3.621 10 10 JHCE COc1ccc(OCCOc2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872721040 IFKOEFKSWYXHEB-UHFFFAOYSA-N 498.601 3.673 10 10 JHCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccco2)C1=O 1873169379 LXJABBUGLBUDRK-UHFFFAOYSA-N 460.578 3.899 10 10 JHCE COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)cc1 1874179813 QTDHMFFSYFMJIU-GBXCKJPGSA-N 454.482 3.629 10 10 JHCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)ccc(N)c2C1 2106883263 NYIDSNXGWVNISF-IRXDYDNUSA-N 458.603 3.865 10 10 JHCE COc1cc(Br)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1OC 2294095664 XVTKYBZDJGJYGI-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE COCCCN1C(=O)C(=Cc2c(NCc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S 2296716176 CWEISYYZUFUTSX-UHFFFAOYSA-N 496.614 3.553 10 10 JHCE Cc1cc(C=C2C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2297461657 XTPDRCNAOTUJMA-UHFFFAOYSA-N 459.527 3.966 10 10 JHCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(OC)cc12 2297471290 WNADWYVHGWNWKB-UHFFFAOYSA-N 476.533 3.557 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@H](C(=O)O)c4ccccc4)c4ccccc34)[C@H]21 2297718097 FXAAYYJDPLOBIW-BDYUSTAISA-N 494.551 3.730 10 10 JHCE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)c(C)c1 2314507533 KREKVIXDPBIRBD-UHFFFAOYSA-N 481.555 3.780 10 10 JHCE COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)cs2)cc1C 11857729 MPZGXDMOGSIMCX-UHFFFAOYSA-N 459.549 3.592 10 10 JHCE O=C(CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 15036091 GWOWRKQATAVUDT-NVNXTCNLSA-N 493.360 3.693 10 10 JHCE CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCC(=O)O)c3)SC2=S)cc1 16909623 GBEXVDMEWONXGI-LDADJPATSA-N 470.572 3.994 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccc(Cl)cc4)o3)CC2)cc1 40320771 PWKNZULYKFLLAM-UHFFFAOYSA-N 460.939 3.737 10 10 JHCE Cc1ccc(Cl)cc1N1C(=O)N=C(O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 103128538 KVGNMRHYMINDDR-ATVHPVEESA-N 465.897 3.865 10 10 JHCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCCc4ccccc4)[C@H]3C2)cc1 245279566 IISILOVLVSYYNH-XTEPFMGCSA-N 471.601 3.930 10 10 JHCE CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H](C)Cc1ccc(OC)cc1 731403569 OWERMGPXGNUALI-DENIHFKCSA-N 452.599 3.560 10 10 JHCE Cc1c2c(cc(=O)n1CCSc1ccc(Cl)cc1)N[N@@H+](c1nc3ccccc3s1)C2=O 1082751811 ZWNIAVCFQSKGOU-UHFFFAOYSA-O 469.999 3.909 10 10 JHCE CC(=O)N1CCC(N(Cc2cncs2)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 1470556413 ULADASJOLBARJU-SFHVURJKSA-N 457.644 3.671 10 10 JHCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCN(CC)C1 1705622247 CAZJSTPOGKXFGV-QHCPKHFHSA-N 460.626 3.780 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3cc(Cl)ccc3SC)CC2)cc1 1861897196 IKESPPCXFNISQB-JOCHJYFZSA-N 488.053 3.953 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1868756722 VMZYHXBSEKSGNI-JOCHJYFZSA-N 494.617 3.551 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3Cc3ccccc3Cl)CC2)cc1 1870551857 FBEDFGLYQIJQRC-UHFFFAOYSA-N 453.970 3.889 10 10 JHCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1892092174 HJWVBWYJBKSLRK-SSPYTLHUSA-N 453.608 3.535 10 10 JHCE COc1cc(C=C2SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2293320780 FNVQTPCCMXSRDK-UHFFFAOYSA-N 461.883 3.942 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N21 2297345246 FQGCNVKZPZPJTG-UHFFFAOYSA-N 492.941 3.679 10 10 JHCE O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 2297350540 ILHDOYQHYOYQNO-UHFFFAOYSA-N 460.417 3.769 10 10 JHCE COc1ccc(Nc2nc(N3CCCC3)nc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 756818 RUFJHWRHANSUKU-UHFFFAOYSA-N 461.570 3.559 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)cc1 16922538 SDXUNBOUBDLVIK-DHDCSXOGSA-N 464.471 3.826 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 20208583 RRSBXUWFDROBOQ-ODXNEQJUSA-N 469.592 3.722 10 10 JHCE COc1ccc(N2CCN(C(=O)CC3(CC4=NS(=O)(=O)c5ccccc5N4)CCCC3)CC2)cc1 20618415 KHMIBWFFNMIVRA-UHFFFAOYSA-N 496.633 3.897 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)Cc3ccc(OC)c(OC)c3)c3ccco3)CC2)cc1 38598210 WBISDVZPABQKKV-HSZRJFAPSA-N 479.577 3.528 10 10 JHCE O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1cccnc1 40846669 ZAJMRKJGBIVIKI-VXPUYCOJSA-N 472.551 3.545 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 102472124 KGVVBWUWCUCONV-GNMKNICSSA-N 460.563 3.726 10 10 JHCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526623075 WDOYVVGNUSTHAW-XMMPIXPASA-N 461.470 3.879 10 10 JHCE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC[C@@H](C(F)F)N1CCOCC1 1705546196 DHHKAFFSOWKWBJ-QHCPKHFHSA-N 482.579 3.778 10 10 JHCE CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858595804 IIOIIEZAGYJDMP-YBXAONHESA-N 464.609 3.634 10 10 JHCE CC[C@H](C)NC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858843970 ABJWZXCVVFZWQQ-HNNXBMFYSA-N 472.501 3.795 10 10 JHCE CCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861917060 ISUNIBYXOYYTIF-HXUWFJFHSA-N 474.945 3.504 10 10 JHCE CCC[C@H](NC(=O)c1ccccc1OCC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862055463 MCMYWTVMYNQXEN-DEOSSOPVSA-N 467.610 3.977 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(Cl)ccc3OC)CC2)cc1 1862138659 UJAHDDDHUPVRAD-NRFANRHFSA-N 492.041 3.558 10 10 JHCE CC(=O)NCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421994 APXDACDEYSZETL-UHFFFAOYSA-N 460.509 3.561 10 10 JHCE Cc1ccc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1C 2297352627 HNCFBHWEGRNPCB-UHFFFAOYSA-N 462.579 3.856 10 10 JHCE Cc1ccc2nc(N3CCSCC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2297468914 QCHAYZFTBADGPG-UHFFFAOYSA-N 484.628 3.551 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)c3cnc(SC)nc3-c3ccccc3)CC2)cc1 15681116 QYZDASURNFWUQX-UHFFFAOYSA-N 477.634 3.816 10 10 JHCE O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 731402287 WSMFAKARYSKKEV-RTWAWAEBSA-N 474.579 3.558 10 10 JHCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N(C)C)C2=O)cc1C 1084577622 WBJXFFRZBLQFME-XNTDXEJSSA-N 487.310 3.707 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCCO)CC1 1741033425 XXVLWFFHGYEUKG-UHFFFAOYSA-N 478.641 3.964 10 10 JHCE COc1cc(N2CCN(S(=O)(=O)c3ccc(OC4CCCC4)cc3)CC2)cc(OC)c1OC 1857951703 FHJGTIZKYUSGEW-UHFFFAOYSA-N 476.595 3.545 10 10 JHCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@@H](CO)C(=O)O)C1=O 1858596733 ZHXFLBGGKYVKDV-ZFSPTPKQSA-N 493.916 3.777 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864014624 ZHVVGYFKUPUICA-FQEVSTJZSA-N 482.606 3.772 10 10 JHCE CC[C@H](NC(=O)[C@H](Cc1ccncc1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868669590 KJSNDXOGNLEYSU-SXOMAYOGSA-N 486.616 3.660 10 10 JHCE CCc1ccccc1OCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1C(C)(C)C 1869969924 AJSPCBVGQUZHKM-UHFFFAOYSA-N 492.624 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450.118 3.734 10 10 JHCE O=C1NN(c2ccc(I)cc2)C(=O)C1=CC=Cc1ccccc1Cl 2297550401 GHQLUVGEZBESMU-UHFFFAOYSA-N 450.663 3.962 10 10 JHCE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 2313558797 KCFBXHBFHDOZRU-UHFFFAOYSA-N 477.517 3.851 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccccc3O)SC2=S)cc1 2314827762 LXDVVBRGQILGFO-UHFFFAOYSA-N 456.545 3.799 10 10 JHCE COc1cc(C=C2SC(=S)N(CCCC(=O)NCc3ccccc3)C2=O)cc(OC)c1O 2314831766 RLOOWSNDVVAMEY-UHFFFAOYSA-N 472.588 3.707 10 10 JHCE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3c(F)cccc3Cl)SC2=S)cc1 2323840257 GDJVWPXAQQCDRH-UHFFFAOYSA-N 456.973 3.570 10 10 JHCE CCOCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2533658 ZAWMWMDJRDJRFG-QURGRASLSA-N 495.626 3.978 10 10 JHCE COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)C2=O)cc1OC 15051260 FXFYNMPYPVONHM-YQYFLZKSSA-N 488.974 3.891 10 10 JHCE COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 33631413 KPHBJKPQIFCCBQ-VAXYQBTPSA-N 483.509 3.977 10 10 JHCE 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CCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867775654 POTYIYYCSLMWFE-LOSJGSFVSA-N 450.627 3.995 10 10 JHCE Cc1c(-c2c(C)c(=O)c3c(C(C)C)c(=O)c(=O)cc-3c2=O)c(O)c2cc(O)c(O)c(C(C)C)c2c1O 2037796005 PXSGRWNXASCGTJ-UHFFFAOYSA-N 490.508 3.614 10 10 JHCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(C)(C)C)c(C(N)=O)c1I 2080053110 GHMQDOYCWKIGKZ-GFCCVEGCSA-N 457.312 3.598 10 10 JHCE CCN(CC)c1ccc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)cc1 2293069269 OJVSOVOXLBQDCJ-UHFFFAOYSA-N 461.303 3.599 10 10 JHCE Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296543476 FPFANAYKVMNJPR-OAHLLOKOSA-N 482.587 3.588 10 10 JHCE COc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1OC(C)=O 2296910955 IZBZNPURYAFBHY-UHFFFAOYSA-N 473.279 3.887 10 10 JHCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCCCCC(=O)OC)C2=O)cc1 2314755135 VEENZNKTMIEOSO-UHFFFAOYSA-N 478.636 3.868 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1)C(=O)O 2314926506 KVCAAWGEYKPVGR-MRXNPFEDSA-N 459.501 3.738 10 10 JHCE 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COc1cccc(/C=C2/SC(=S)N(CCNC(=O)/C=C/c3ccc(OC)c(OC)c3)C2=O)c1 62060353 CHDIHKYAKSCFQL-VGZQXCAVSA-N 484.599 3.743 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)c5cc(Cl)ccc5n4)CC3)CC2)cc1 1858548845 HHBBQXZRYQXKGN-UHFFFAOYSA-N 481.984 3.563 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864017905 XYSHQYSSPQNTQM-OAQYLSRUSA-N 492.576 3.847 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864021559 PTFIDRQHKAGCJD-QFIPXVFZSA-N 476.577 3.832 10 10 JHCE CC(C)OC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870909602 HHHFLBVAWTYZFW-UHFFFAOYSA-N 465.550 3.917 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871476613 YCAJLMKDHPUIDJ-UHFFFAOYSA-N 471.565 3.886 10 10 JHCE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C=Cc1ccc(N2CCCCCC2)cc1 2040480002 FSBFBPNQXWOYCZ-DEOSSOPVSA-N 484.666 3.912 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)cc1 2293783251 RJSBXFKPQBLEJF-UHFFFAOYSA-N 454.280 3.996 10 10 JHCE 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CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cccc(CS(C)(=O)=O)c2)cc1 749193250 HRMJGKHWXICGLM-UHFFFAOYSA-N 455.580 3.802 10 10 JHCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 789863060 MZYKEYFEQSRUAH-UHFFFAOYSA-N 458.356 3.550 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864014486 WCDJNLDFHYKBJZ-NRFANRHFSA-N 480.540 3.807 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028752 ZRLYYXFGIVZYKU-QMHKHESXSA-N 474.561 3.996 10 10 JHCE CC[C@@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866640237 QYSAVTVWHKICPE-QGZVFWFLSA-N 469.453 3.857 10 10 JHCE CCC[C@@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868764245 HPZMFHDANLEIBI-NTKDMRAZSA-N 455.574 3.647 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](C)Cc3ccc(F)cc3)C(C)C)CC2)cc1 1868768253 WPJUECPHLWPPDV-CYFREDJKSA-N 455.574 3.503 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc(C)c3)cc1C2=O 1873855862 CNRYNHJZEGAZGF-UHFFFAOYSA-N 457.438 3.873 10 10 JHCE COCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296716229 NMEGFEGCXBDWNN-HOTGVXAUSA-N 486.663 3.723 10 10 JHCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1OC 2296885090 BSBOHWDNFHMEFF-UHFFFAOYSA-N 456.545 3.746 10 10 JHCE Cc1c(NC(=O)CCN2C(=O)C(=Cc3ccccc3F)SC2=S)c(=O)n(-c2ccccc2)n1C 2297498309 JODPKVXSBAARRA-UHFFFAOYSA-N 496.589 3.854 10 10 JHCE C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NC3=NN(c4ccccc4)C(=O)C3)cc2C1=O 8908749 KXONLOSTIVDMEF-MRXNPFEDSA-N 452.470 3.524 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCCC(=O)O 16919710 DYKUEPNWKMBYOS-CPNJWEJPSA-N 486.571 3.793 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 20208556 FAOSXZTWHVWXIH-ODXNEQJUSA-N 469.592 3.722 10 10 JHCE CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccc(S(N)(=O)=O)cc1 20286869 GUEFXCMCOVQOQU-XSFVSMFZSA-N 469.592 3.510 10 10 JHCE COCCCNC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586608951 UMTJCOKDBYXMCS-UHFFFAOYSA-N 457.486 3.872 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc([C@H]3CCCO3)s2)sc(C)c1-c1ccc(C)cc1 1860766491 BKIQBOYNVZDNOV-CQSZACIVSA-N 486.575 3.521 10 10 JHCE CC[C@](C)(NC(=O)c1cccc(OCC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862255480 FFSTYOYDTIFZSH-MHZLTWQESA-N 467.610 3.977 10 10 JHCE CCCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)CC1 1867946117 FRLURZRDOARDFW-UHFFFAOYSA-N 486.664 3.935 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C)nc(-c4cccnc4)n3)CC2)cc1 1869373683 PVRCTLFLSJMNRZ-LJQANCHMSA-N 482.592 3.721 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1 2294061112 FOVLHAGNRXBHSV-UHFFFAOYSA-N 459.458 3.793 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)cc1 2294093801 QVSRAGZAQNWNRR-UHFFFAOYSA-N 466.291 3.915 10 10 JHCE Cc1ccccc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 2297345908 MEFONMIFJLJWDS-UHFFFAOYSA-N 469.592 3.802 10 10 JHCE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2314837456 SJPHMMLRGHXKRY-NSHDSACASA-N 458.477 3.731 10 10 JHCE O=C(NN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)c1ccccc1[N+](=O)[O-] 33323412 QUEXFYZBBOPFKA-NTEUORMPSA-N 464.322 3.904 10 10 JHCE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 39990185 SZFZKQZTJDLSSO-QNGOZBTKSA-N 493.658 3.596 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 47152142 MVLXVBVHTYXAJB-BOPFTXTBSA-N 471.516 3.611 10 10 JHCE Cc1ccc(-n2nc(N3CCN(C(=O)c4ccc(-n5c(C)ccc5C)cc4)CC3)ccc2=O)cc1 85654740 DILWMQJWPFAQAO-UHFFFAOYSA-N 467.573 3.911 10 10 JHCE CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)C(=O)N(c2ccc(Cl)cc2)C1=S 95925748 HCRSSDPSGJUEBA-VBKFSLOCSA-N 460.939 3.929 10 10 JHCE Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cc1 106264183 YIHNQXMIOHLQST-UHFFFAOYSA-N 479.584 3.773 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(I)c3)CC2)cc1 106278110 BUZCZZJYRIKTFO-UHFFFAOYSA-N 456.711 3.916 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccccn3)CC2)cc1 109155928 NQRSBWBRYHNBEC-UHFFFAOYSA-N 468.561 3.972 10 10 JHCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(F)cc12 205945367 UUARZOPGIHVVNG-BUVRLJJBSA-N 464.497 3.688 10 10 JHCE Cc1cc(CCNC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c(C)n1-c1ccccc1 1329570786 YBJMFTZNQAMADU-UHFFFAOYSA-N 451.611 3.952 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cc2)CC1 1625193257 RXCGYNBUTDOABE-UHFFFAOYSA-N 459.521 3.655 10 10 JHCE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCSc1nccs1 1705490328 IGNXKEFUMRXIKD-AWEZNQCLSA-N 451.581 3.691 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3sccc3C)CC2)cc1 1862246624 QDABMGYEFHQDKJ-QHCPKHFHSA-N 463.603 3.755 10 10 JHCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864022883 ZNBBYPLYKOVTKR-LJQANCHMSA-N 468.941 3.541 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865033248 VONZNXMXOSSDHK-NRFANRHFSA-N 460.534 3.553 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3c[nH]c4ccccc34)C(C)C)CC2)cc1 1868582015 BPUSRKYQARSBKH-AREMUKBSSA-N 462.594 3.599 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCCCN(C)C)C2=O)cc1 1873165259 FDGHBFPCCLUAOK-UHFFFAOYSA-N 466.626 3.530 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873166747 YACMJXMUHUVMOQ-HSZRJFAPSA-N 465.594 3.758 10 10 JHCE COc1cc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc(OC)c1OC 2314740706 MAASVHOTJXBOJH-UHFFFAOYSA-N 451.566 3.790 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C=Cc3ccc(C)cc3)CC2)cc1 2328562114 GSHDCFBVDVTKNQ-MUUNZHRXSA-N 499.611 3.799 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCCCC3)nc12 33528856 VIWMKOUHVKERBY-QGOAFFKASA-N 466.588 3.988 10 10 JHCE CCCCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@@](CC3CCCCC3)(C(=O)O)[C@@H]2C1=O 33904127 PTOAMDDKGJZDIY-OYSWMMLKSA-N 455.599 3.592 10 10 JHCE Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)c(C)c1 33930506 MSEXCICEXFYPJZ-PDGQHHTCSA-N 465.487 3.718 10 10 JHCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=N)N21 96460819 ZOJRIHXQQKWJSL-ICZFKYGZSA-N 462.940 4.000 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)[C@H]2CCCO2)cc1 1858895174 HPWKURGOTUCETP-JOCHJYFZSA-N 470.481 3.868 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3c(Cl)ccc(Cl)c3OC)CC2)cc1 1861963973 AHHRBWZUCUBCJV-UHFFFAOYSA-N 480.392 3.868 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862214410 AODUBPCRCALYSW-LVXARBLLSA-N 479.621 3.926 10 10 JHCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864017065 DNFSIPNONUUQGU-LJQANCHMSA-N 468.941 3.719 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027536 JIXZDFGJEPJKCK-HSZRJFAPSA-N 474.561 3.604 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(-c4ccco4)n(C)n3)c3ccccc3)CC2)cc1 1869039128 FZJPUXMFWXHMJU-SANMLTNESA-N 499.571 3.509 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCOC[C@H]4C)nc(Cc4ccccc4)n3)CC2)cc1 1869081546 MVKDNDFNXHQXSP-OAQYLSRUSA-N 459.594 3.628 10 10 JHCE CCOC(=O)CCOc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870875962 HVJALDRELABDRH-UHFFFAOYSA-N 465.550 3.918 10 10 JHCE CNC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871015233 XASSMKJQLGMTCD-UHFFFAOYSA-N 469.545 3.772 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873165296 GONIZZJFVIQTHD-HSZRJFAPSA-N 465.594 3.758 10 10 JHCE CCOC(=O)c1nn(Cc2c(C)cccc2O)c(C(F)(F)F)c1I 2079259248 UBNFONRSDCVROL-UHFFFAOYSA-N 454.186 3.746 10 10 JHCE Cc1ccc(CN(C)C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)c(O)c1Br 2381131950 UIYPKYCCEUJAJQ-LBPRGKRZSA-N 451.308 3.970 10 10 JHCE O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCCN1C(=O)CSC1=S 9583018 YJIGCWJCKHJSJD-UHFFFAOYSA-N 472.592 3.505 10 10 JHCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14469159 IOKITYPBFQTGHT-XXKSCLRYSA-N 498.601 3.904 10 10 JHCE O=C(O)Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)cc1 16922569 CGOBEICYVDJTRP-YBEGLDIGSA-N 478.498 3.755 10 10 JHCE COc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(Oc4ccccc4)cc3)=N2)c(OC)c1OC 20925126 TWTBJFHZUKSPKI-FQEVSTJZSA-N 475.501 3.852 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)CCc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 62694805 GBBSFHMERKPDEQ-UHFFFAOYSA-N 483.609 3.606 10 10 JHCE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1ccc(N2CCCCCC2)cc1 96883678 FSBFBPNQXWOYCZ-VGLXENQISA-N 484.666 3.912 10 10 JHCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 727742694 AHMLYDSWGWKLSW-UHFFFAOYSA-N 487.025 3.618 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCSc2nccs2)CC1 1722745521 BOFVXSUPXLDKNQ-UHFFFAOYSA-N 460.629 3.933 10 10 JHCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@H](CO)C(=O)O)C1=O 1858596732 ZHXFLBGGKYVKDV-DWGGBAKOSA-N 493.916 3.777 10 10 JHCE CCC[C@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868779966 SCABMCBABODHEY-QHCPKHFHSA-N 491.636 3.789 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1869970601 UJYMBWWJBJPDSQ-UHFFFAOYSA-N 468.561 3.784 10 10 JHCE COc1cc(C=C2C(=N)N3C(SCC(C)C)=NSC3=NC2=O)cc(OC)c1OC(C)=O 2297333752 NCHDJMQADRZZBW-UHFFFAOYSA-N 462.553 3.595 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2314935413 OSZFTYQDZCWIOZ-UHFFFAOYSA-N 480.470 3.532 10 10 JHCE COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N21 2401165 HHSCJNGFGUWKRA-YCAMKHIRSA-N 472.541 3.903 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccc(C)cc1 96459817 SJPXDPWVPUGUHF-PUYZJMEQSA-N 498.586 3.594 10 10 JHCE COc1cc(/C=C2\C(=N)N3C=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 104602248 LTUIFKAKEFTWBL-GNMKNICSSA-N 478.530 3.888 10 10 JHCE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)cc1 248055472 OITDCGIQCVGAQI-JLMYGFKKSA-N 489.616 3.992 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865031023 XGVYNWWAZNTWSQ-MGPUTAFESA-N 454.571 3.610 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2O)N2CCCCC2)cc1 1866270205 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CGOBEICYVDJTRP-UHFFFAOYSA-N 478.498 3.755 10 10 JHCE O=C1NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 1169971 MDWJKALCGGIXQQ-GZTJUZNOSA-N 453.248 3.869 10 10 JHCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15048107 GKDJFIRFCSOWIN-CMHHUMAZSA-N 485.425 3.800 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1C 20207786 JJAQQDQIWWCBRE-PUYZJMEQSA-N 498.586 3.594 10 10 JHCE Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c(N2CCCCC2)n(C)c(=O)c1C#N 33383570 FNXLBEYLPQRYIF-RCCKNPSSSA-N 478.643 4.000 10 10 JHCE Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCc1cc(C)n(-c2ccccc2)c1C 761572013 KPLVIBSFYYBGLI-NRFANRHFSA-N 461.031 3.944 10 10 JHCE CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(CC)C3=O)c2C)cc1 1084001045 VCOONQVRTYMVCD-ZHZULCJRSA-N 453.564 3.698 10 10 JHCE CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 1772759490 ZHCNOHDHNCHVFK-LDKXMGCTSA-N 487.628 3.509 10 10 JHCE Cc1ccc(S(C)(=O)=O)c(C(=O)NCc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)c1 1860913170 KMGSYJJFIJLGCD-UHFFFAOYSA-N 465.575 3.647 10 10 JHCE COc1ccc(/C=C/C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1861937083 YRDITZPUDVIWDM-VAACGYSUSA-N 485.584 3.923 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027247 WVDHVGNVDZUYBU-QHCPKHFHSA-N 492.551 3.743 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027561 JNXGKIXRKYOSIB-CMJOXMDJSA-N 490.560 3.554 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)C[C@H](NC(=O)C(F)(F)F)c2ccccc2)c2nccn2C)cc1 1866061581 WLUAJHOKXIZZAR-PZJWPPBQSA-N 473.499 3.502 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)c2nccn2C)cc1 1866532489 YWZSOXSPKAJUKV-OAQYLSRUSA-N 480.366 3.610 10 10 JHCE CC(C)Nc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2297459178 UQIRXKLRSWOJEF-UHFFFAOYSA-N 480.571 3.645 10 10 JHCE O=C(O)CCCCCNC(=O)CCCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314831853 UCGNYAWTCFFSEJ-UHFFFAOYSA-N 471.000 3.788 10 10 JHCE Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1N[C@@H]2c1cccc(O)c1O 21659078 SPSPQEZHLNPZPU-JOCHJYFZSA-N 480.524 3.929 10 10 JHCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OC 1084146272 GIMYGQFRIKYBAX-ZSOIEALJSA-N 463.259 3.662 10 10 JHCE CCOc1ccccc1NC(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n2ccccc12 1858230879 HNPOBIFCYNJTSP-UHFFFAOYSA-N 499.571 3.956 10 10 JHCE CCC[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861922608 IBFXOMRBDOIAIC-OAQYLSRUSA-N 463.500 3.961 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865034118 PNNCLFRWWNQVFC-INIZCTEOSA-N 480.487 3.676 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@H](N)Cc2cnc[nH]2)sc(C)c1-c1ccc(Br)cc1 1866031929 WOHFRUGLNCJYPA-OAHLLOKOSA-N 477.384 3.894 10 10 JHCE CC[C@@](C)(NC(=O)CCCC(=O)c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868733577 OLXCYEMNQODRQX-RUZDIDTESA-N 471.623 3.743 10 10 JHCE CCCOC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870331535 HAWWDAWEWZIEDB-UHFFFAOYSA-N 485.625 3.557 10 10 JHCE O=C(NN1C(=O)C(=Cc2nc3ccccc3[nH]2)SC1=S)c1ccccc1Br 2296157121 JNBYQDGSYBOESW-UHFFFAOYSA-N 459.350 3.872 10 10 JHCE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S 1159021 BYAIEYUVGMTCJC-VHEBQXMUSA-N 455.536 3.792 10 10 JHCE COc1ccc(CCn2nc(C(=O)N(C)C)c3c2CCN(C/C=C/c2ccc(N(C)C)cc2)C3)cc1 14755317 VCWHFLYJPOISBG-VOTSOKGWSA-N 487.648 3.974 10 10 JHCE CCOc1cc(/C=C2/SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCCC(=O)O 16920081 GDNAIGPUKMWIDP-DEDYPNTBSA-N 469.519 3.980 10 10 JHCE COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 20736184 SHWHNKJNRZMBIM-DIBXZPPDSA-N 499.567 3.819 10 10 JHCE Cc1c(C)n(-c2ccc(Cl)cc2)c2ncn(CC(=O)NCc3ccc(N(C)C)cc3)c(=O)c12 20976903 OZKLUZUCCYLJEP-UHFFFAOYSA-N 463.969 3.840 10 10 JHCE COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3c(O)cccc3OC)CC2)[C@@H]1O 207985879 NAEKKNBYVIPNSH-KAYWLYCHSA-N 488.584 3.789 10 10 JHCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526354052 VUPNHWAZWJYOCJ-QHCPKHFHSA-N 477.469 3.959 10 10 JHCE O=C(O)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccc(Cl)c1 586223511 ORAIYWZWCSERPU-UHFFFAOYSA-N 469.902 3.785 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N[C@@H](c3ccccc3)c3nc4ccccc4n3C)CC2)cc1 726247221 HMXQXPOWODFKJW-MHZLTWQESA-N 498.631 3.793 10 10 JHCE CC[C@@](C)(NC(=O)/C=C/c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861946695 PEUIXKKHMZDAJH-MKZVKBBESA-N 455.986 3.996 10 10 JHCE CCC[C@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862041210 FKGZKBMWBYKXFV-NRFANRHFSA-N 474.399 3.705 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(F)c3)CC2)cc1 1862071168 UZRVFWYOOWJHPA-VWLOTQADSA-N 461.537 3.524 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864011823 LQJCNDQPYAPGTM-HXUWFJFHSA-N 468.941 3.525 10 10 JHCE C[C@H](NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867262585 KMMWQXIDUMUYCL-ZDUSSCGKSA-N 455.495 3.829 10 10 JHCE CCC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868965788 UIFHDVBENOCWHO-QHCPKHFHSA-N 492.576 3.606 10 10 JHCE CCCCOc1cn(CCCCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870663844 PUIWNWLQNPKRKR-UHFFFAOYSA-N 457.615 3.521 10 10 JHCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)o1 2297352732 QRAPCEPHPOZRTD-UHFFFAOYSA-N 450.480 3.836 10 10 JHCE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 2297365664 QUQAHGRXRSKPSQ-UHFFFAOYSA-N 491.348 3.987 10 10 JHCE C[C@H](C(=O)NCCC(=O)O)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314837940 YRWLMRJWWSPFBE-CQSZACIVSA-N 456.545 3.660 10 10 JHCE CC(=Cc1cccc(Cl)c1)C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330531380 ZXNHSSURKHDBGS-QFIPXVFZSA-N 488.927 3.635 10 10 JHCE CC(=O)N[C@H](CC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C)c1ccccc1 9249701 GPPKCIFUPUZLHJ-HSZRJFAPSA-N 476.529 3.859 10 10 JHCE COc1ccccc1N1CCN(c2cc(NCCO)c3c4c(onc24)-c2ccccc2C3=O)CC1 9612276 KKCNJLLTIBJJAD-UHFFFAOYSA-N 470.529 3.779 10 10 JHCE Cc1cc(C(=O)COC(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1-c1ccc2c(c1)OCO2 10989524 OZXAMKXOOWDBOV-UHFFFAOYSA-N 475.453 3.734 10 10 JHCE CN1CCCc2cc([C@@H](CNC(=O)c3cccc(Br)c3)N3CCOCC3)ccc21 21886934 JCAWBIGPASRYHA-JOCHJYFZSA-N 458.400 3.635 10 10 JHCE CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 59860515 ZTPZXIVKLOOTLA-QGOAFFKASA-N 457.324 3.941 10 10 JHCE CC/C(NCCCN1CCOCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100158128 DMCVTPAOJQUFDF-VKAVYKQESA-N 467.517 3.537 10 10 JHCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 1084646399 CJZKBCPUNUTLJJ-PDGQHHTCSA-N 463.490 3.763 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)c2)CC1 1538709089 LWGXOKFGOVADED-UHFFFAOYSA-N 451.527 3.506 10 10 JHCE COc1ccc(N2CCN(C(=O)CC3(N4Cc5ccccc5C4=O)CCSCC3)CC2)cc1 1860219405 RQWOFVDGYSAFEB-UHFFFAOYSA-N 465.619 3.656 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cccc21 1860589968 KUOOPWQEXIQRCE-UHFFFAOYSA-N 482.492 3.682 10 10 JHCE CCCOc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862057421 BMXOSOOQDFZDDC-HSZRJFAPSA-N 485.650 3.684 10 10 JHCE 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C[C@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867237085 YPQYFEKJCFWUNJ-HOTGVXAUSA-N 466.493 3.666 10 10 JHCE COCCCn1cc(OCCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870351564 HHZTYHSWSJYTJG-UHFFFAOYSA-N 457.615 3.641 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871544656 VKUVYKYCOOORED-UHFFFAOYSA-N 499.594 3.854 10 10 JHCE COCCN1C(=O)C(Nc2ccc3c[nH]nc3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420906 YMHSPZDJVWTPOA-UHFFFAOYSA-N 455.518 3.809 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1C 2294093667 BACZCNCDNDBXHP-UHFFFAOYSA-N 463.273 3.740 10 10 JHCE CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)c(Br)c3)C(=O)NC2=S)cc1 2294204823 GYANGFOJOPXZBM-UHFFFAOYSA-N 461.337 3.688 10 10 JHCE CCN(CC)c1ccc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)c(OC)c1 2297320846 IAKUGJMOPAAMKV-UHFFFAOYSA-N 491.329 3.607 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 2297345843 HUIMUQOLIDNQIC-AWEZNQCLSA-N 498.586 3.847 10 10 JHCE 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Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012197 UKPVTSVUOOQVMF-OAQYLSRUSA-N 482.968 3.771 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(N(C)C)cc4)[nH]3)CC2)cc1 1871696285 BWECOJVJXKSOFA-UHFFFAOYSA-N 490.656 3.896 10 10 JHCE CC(C)CCN1C(=O)C(=CN(CCN2CCOCC2)Cc2ccccc2F)SC1=S 2297471822 RZBQQKXKPARPBN-UHFFFAOYSA-N 451.633 3.708 10 10 JHCE CCCS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)n1 39909482 XHIRRHWJYCXMAR-UHFFFAOYSA-N 476.986 3.815 10 10 JHCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(F)cc12 205945408 NJWVUWLYCFZPFT-OEAKJJBVSA-N 479.468 3.587 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 1084446446 BVIDHWRBAXAFRT-UNOMPAQXSA-N 477.429 3.929 10 10 JHCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 1311735743 NNYBYEQCIMXDIH-NBGIEHNGSA-N 456.631 3.797 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(C)cc3)cc1C2=O 1772569999 DHMKVHMXGWBLSJ-UHFFFAOYSA-N 457.438 3.873 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc4nc(C(C)C)[nH]c4c3)CC2)cc1 1862103334 KVMLDRXOGWVMMI-DEOSSOPVSA-N 475.593 3.648 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864013755 ZVMZWIFUJLHOCG-KSFYIVLOSA-N 476.577 3.904 10 10 JHCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864019631 NYXGKAHNYMUJHB-QHCPKHFHSA-N 490.604 3.989 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865033458 AGGIXAXDUJEASM-FQEVSTJZSA-N 478.549 3.553 10 10 JHCE CCCCNC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870953988 UVTAQDCTUGYFTB-UHFFFAOYSA-N 478.593 3.882 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079864663 XLEKTRLRPAPIAT-ZDUSSCGKSA-N 468.213 3.712 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)c(C)n1Cc1ccccc1 2297346494 PJINETCFSXPYGV-UHFFFAOYSA-N 483.619 3.801 10 10 JHCE Cc1c(N2C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314933145 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473.532 3.840 10 10 JHCE Cc1c(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 16906089 BFZCKVOKJMNLHO-SFQUDFHCSA-N 451.529 3.588 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 35147054 WDQTZXBQGRQWJE-HKWRFOASSA-N 467.547 3.994 10 10 JHCE CCCS(=O)(=O)c1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)no2)cc1 40325339 DWQSXJDZKCGJGE-QHCPKHFHSA-N 484.622 3.624 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 102445367 KWRXBAIDAWZRLA-SFQUDFHCSA-N 494.572 3.982 10 10 JHCE CCOC(=O)c1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(=O)O)c(OCC)c3)S2)cc1 210461968 RAULNCAKQAPSOI-UNOMPAQXSA-N 470.503 3.808 10 10 JHCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526158477 IHDOXQQXENYSSN-DEOSSOPVSA-N 477.469 3.943 10 10 JHCE Cc1ccc(S(=O)(=O)N(CCCN(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586199301 RCNMMMOFOQXYDT-UHFFFAOYSA-N 462.571 3.917 10 10 JHCE CC(=O)N1CCc2sc(S(=O)(=O)NCCc3cc(C)n(-c4ccccc4)c3C)cc2C1 1656253020 BZYIBLWHFSUTLX-UHFFFAOYSA-N 457.621 3.581 10 10 JHCE CCN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4cc(OC)ccc4OC)n3)ccc21 1859574342 XZBQJSFREUBYDE-UHFFFAOYSA-N 473.576 3.927 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(Cc5ccccc5)[nH]c4c3)CC2)cc1 1861895742 WULCYDQZRPJNCB-FQEVSTJZSA-N 497.599 3.629 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1 1861933151 AXIGFUWJZUJJCA-SANMLTNESA-N 489.572 3.532 10 10 JHCE CCC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862182818 QXVFAFVMGVEQDV-QHCPKHFHSA-N 488.028 3.978 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864011044 YOUKIKMJVVWAOB-YYNNRMEOSA-N 478.593 3.792 10 10 JHCE CCC[C@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869062446 HVGVUESCQLBKIL-QHCPKHFHSA-N 475.593 3.641 10 10 JHCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3cccnc3)C2)n1 1869222314 GKVLAXRLTPUTID-DEOSSOPVSA-N 474.609 3.737 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C(C)C)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869969974 BRKBONGBVRJXIB-UHFFFAOYSA-N 454.962 3.850 10 10 JHCE O=C(CCC(=O)N1CCO[C@H](c2ccccc2)C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179481 GPECTGPGTJLCQZ-QHCPKHFHSA-N 468.509 3.781 10 10 JHCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C(N)=O)c1I 2080030609 PGWVIPFCSUYOEY-SNVBAGLBSA-N 467.229 3.927 10 10 JHCE O=C1c2ccccc2-c2onc3c(N4CCN(c5ccc(F)cc5)CC4)cc(NCCO)c1c23 9612279 RTEFEHZBKHBRBF-UHFFFAOYSA-N 458.493 3.909 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 20208560 GSYIVRCMONEZNQ-NONNEFQTSA-N 475.983 3.759 10 10 JHCE COc1ccc(N2N=C(C)/C(=C(/C)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)C2=O)cc1 20286529 IIAFZULUHXFSAN-XQNSMLJCSA-N 477.546 4.000 10 10 JHCE COc1ccc(CNc2c(/C=C3\SC(=S)N(C(C)C)C3=O)c(C)c(C#N)c(=O)n2C)cc1 40066632 YCNDDPDSOCJWMJ-GRSHGNNSSA-N 468.604 3.796 10 10 JHCE COc1ccc(N2CCN(C(=O)c3c(C)sc4c(=O)n(C5CCCC5)cnc34)CC2)cc1 65297641 FQLPGCNETVHFCM-UHFFFAOYSA-N 452.580 3.853 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OCC)cc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 86076775 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C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(CC=Cc1ccc(N(C)C)cc1)CC2 2297521681 BXIUNBDRKXJLGV-JOCHJYFZSA-N 472.637 3.726 10 10 JHCE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314836269 CESXNWBXOOENBQ-SNVBAGLBSA-N 462.936 3.972 10 10 JHCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O)C(C)=O 2314926501 KSJZEEDQVCHULY-KRWDZBQOSA-N 456.545 3.685 10 10 JHCE CCN(CC)c1c(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c(=O)n1C 33454373 KBKVMAUVZPJXGZ-UDWIEESQSA-N 482.631 3.822 10 10 JHCE CCc1ccc(OCCCN/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 59383131 FAXQAQUKSWYXJH-RGEXLXHISA-N 472.339 3.537 10 10 JHCE O=C(NN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1cccnc1 169044253 ZAJMRKJGBIVIKI-FMQUCBEESA-N 472.551 3.545 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOCC(F)F)[C@@H](C)C1 1359383861 KHGCVOGUMQITCT-SFHVURJKSA-N 486.567 3.691 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(NC(=O)C(C)C)ccc3Cl)cc2)CC1 1466882846 SSVNHJXMXJILAX-UHFFFAOYSA-N 456.974 3.533 10 10 JHCE CCCOc1ccc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862064239 FFXRUHPDTDGGLY-DEOSSOPVSA-N 485.650 3.684 10 10 JHCE CCc1sc(NC(=O)c2cc(O)nc(O)n2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865982058 WUAXTZFRQMHDKF-UHFFFAOYSA-N 478.324 3.980 10 10 JHCE O=C1N=C(N2CCOCC2)SC1=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 2053466846 OPBLYRURJLONOC-UHFFFAOYSA-N 484.375 3.669 10 10 JHCE CNC(=O)c1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079163005 YPUREERWMAFXLU-UHFFFAOYSA-N 493.145 3.639 10 10 JHCE Cc1ccc(CNC(=O)C[C@H](CNC(=O)OC(C)(C)C)C(F)F)c(O)c1Br 2380748359 DHSPQEHCCGGWLQ-GFCCVEGCSA-N 451.308 3.875 10 10 JHCE CCCN1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccc(C)cn3c2=O)SC1=S 6360026 QGJCDQMMNGLOER-VXLYETTFSA-N 494.598 3.955 10 10 JHCE O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 9914777 IRGMSSKZQPJHMF-UHFFFAOYSA-N 451.475 3.794 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=N)N21 96460268 LOVGXHHYKZPWJJ-LHTBISBZSA-N 462.940 3.920 10 10 JHCE O=C(CSc1ccc(Cl)cn1)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 913540637 FLNIGEYUNYLYHW-PXNMLYILSA-N 494.019 3.573 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Br)cc(Cl)c3O)c2)CC1 1183203150 PFIQAILRHDBDNI-UHFFFAOYSA-N 452.736 3.729 10 10 JHCE Cc1csc2nc(Cl)c(/C=C3/SC(=S)N([C@@H](Cc4ccc(O)cc4)C(=O)O)C3=O)n12 1858590428 PXNJCUXBVMNCMU-PZMUVPOTSA-N 479.992 3.960 10 10 JHCE CC/C(=C\C(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1ccc(OC)cc1 1868661073 NFWDBWZGPDNBDB-KVMXLORXSA-N 479.621 3.987 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccc(Cl)cc3)n4C)CC2)cc1 1873567195 DNDAUFWXJCDEOL-UHFFFAOYSA-N 490.995 3.887 10 10 JHCE COc1ccc([C@@H](n2nc(C(F)F)c(CN)c2I)C2(C)CC2)c(O)c1 2079873386 OIVXBLDNKUQFFD-CQSZACIVSA-N 463.266 3.988 10 10 JHCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1CCS(=O)(=O)O 2695522 BJYVQMXEGPXDGX-LDADJPATSA-N 489.575 3.767 10 10 JHCE CC[C@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S 2695985 PZIWTKJSEYKRMU-IWKHNONTSA-N 465.600 3.720 10 10 JHCE CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@H]32)cc1 14480667 ZJZKINFWWXQZQX-FBLLAGFSSA-N 453.608 3.848 10 10 JHCE COc1ccc(N2CCN(c3ccc(C(=O)O)cc3NS(=O)(=O)c3ccccc3)CC2)cc1 32961933 GMDLYCFMFPRVFF-UHFFFAOYSA-N 467.547 3.521 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(F)cc4)c(C(=O)O)c3)CC2)cc1 33006881 CZZPDWPYCPHMQK-UHFFFAOYSA-N 485.537 3.660 10 10 JHCE CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1OC 33374777 LYARCKUBPSHRNK-GZTJUZNOSA-N 459.505 3.548 10 10 JHCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1C 39835799 IJXLNYOQCRDABV-SFQUDFHCSA-N 481.555 3.780 10 10 JHCE CC(C)Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 97447296 UQIRXKLRSWOJEF-VCHYOVAHSA-N 480.571 3.645 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 210458647 JIGDQIJTPHGAHZ-YVLHZVERSA-N 475.504 3.685 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007923 XQNLRBIAOGZMIP-YUNKPMOVSA-N 468.941 3.855 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3cc(N(C)C)ccc3c2=O)N2CCCCC2)cc1 1866422614 AVZZBDZBOAYKLV-RUZDIDTESA-N 461.610 3.617 10 10 JHCE COCCN1C(=O)C(NCc2ccccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165018 DJUXLWWTWZTQIU-UHFFFAOYSA-N 459.546 3.619 10 10 JHCE CCOC(=O)c1nn(Cc2ccc(C)cc2O)c(C(F)(F)F)c1I 2079250334 FJLJCSAOVRQRLJ-UHFFFAOYSA-N 454.186 3.746 10 10 JHCE CCCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296546107 NSXXAPSMOKAOSU-SFHVURJKSA-N 480.615 3.841 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)NC3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 2297312657 QLKJJFXQWAXTKV-UHFFFAOYSA-N 476.627 3.951 10 10 JHCE COc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 2297352554 ALLWOURTLHPNSK-UHFFFAOYSA-N 489.557 3.977 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3C(=O)O)SC2=S)c(OC)c1 2314928833 CDUKPFNOFMCFLE-UHFFFAOYSA-N 461.517 3.825 10 10 JHCE CCOc1ccc(C=CC(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330599608 GFJBTBDQRLDFHI-VWLOTQADSA-N 497.661 3.694 10 10 JHCE COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 2282010 QAMNNIUGPGKGJC-FVIVVMBBSA-N 489.641 3.772 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15039938 RPQJVLBHWPMSOF-UNOMPAQXSA-N 486.571 3.895 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 20356691 JAKYJGQKZAKDKE-CNXJSLBUSA-N 486.960 3.796 10 10 JHCE CCCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)N=C2S1 33621721 HSYQUEVQKCCVNL-DTRPCSQLSA-N 454.533 3.874 10 10 JHCE COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CCN(c4ccc(OC)cc4)C[C@H]23)cc1 96456829 UUAQHJIOIPZGRF-IXCJQBJRSA-N 471.601 3.930 10 10 JHCE CCCN(CCC)C(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccn12 1858224447 WUHYCBIECDMFCT-UHFFFAOYSA-N 463.582 3.568 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3ccccc3)CC2)cc1 1862288966 QQCSPRIHCHFZDD-MHZLTWQESA-N 471.601 3.704 10 10 JHCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018234 GKQGSODCEJMHSB-FQEVSTJZSA-N 482.968 3.778 10 10 JHCE C[C@H](NC(=O)CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C)C1CCCCC1 1866249984 WBBJRRRIKRXFSI-DFBJGRDBSA-N 453.631 3.947 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc(F)c1 2297341676 FOLPNGLORVYIQB-UHFFFAOYSA-N 491.431 3.988 10 10 JHCE O=C(O)CCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2297453594 QLQUIBKJMFTJLG-AWEZNQCLSA-N 476.488 3.764 10 10 JHCE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C3CCCCC3)C2=O)C[C@H](C)O1 2314400744 QZSIWRZCDBEPAD-HOTGVXAUSA-N 484.647 3.842 10 10 JHCE O=C1COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)s4)n3)cc2N1 11858020 GPKXYFCUNCIJEJ-UHFFFAOYSA-N 472.367 3.766 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(C)c(OC)c(C)c3)c3ccco3)CC2)cc1 38619384 GQJDYYGQUKAXLD-XMMPIXPASA-N 499.633 3.755 10 10 JHCE COc1ccc(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 47133164 ZYEJIFRQUPGKEH-DHDCSXOGSA-N 472.573 3.955 10 10 JHCE CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858595806 IIOIIEZAGYJDMP-ZWTZFDSSSA-N 464.609 3.634 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(CO)c2I)c(O)c1 2079864662 XLEKTRLRPAPIAT-CYBMUJFWSA-N 468.213 3.712 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1Cl 2293568240 KQISZPHLXTZNMY-UHFFFAOYSA-N 466.833 3.973 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1 2296538548 XBFKHMPDTPFDHK-KRWDZBQOSA-N 493.610 3.731 10 10 JHCE O=C(COc1ccc(Br)cc1C=C1SC(=S)NC1=O)Nc1cccc([N+](=O)[O-])c1 2314488329 WJLYGPDKBFOPBV-UHFFFAOYSA-N 494.348 3.864 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314829249 ZXMNFVAFBHKVKU-UHFFFAOYSA-N 486.571 3.808 10 10 JHCE COc1ccccc1/C=C1/SC(=S)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O 35638518 QQYKDESDUIXREJ-LICLKQGHSA-N 459.505 3.539 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCSCC3)nc12 102436767 LRPCHIFCNRQWKT-GHRIWEEISA-N 472.661 3.700 10 10 JHCE Cc1cc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 108902834 GPZNLCNMVKJILT-UHFFFAOYSA-N 465.575 3.961 10 10 JHCE CCOC(=O)c1ccc(NC2=NC(=O)/C(=C/c3ccc(OC)c(OC)c3C(=O)O)S2)cc1 210406583 OAOOHWTZXBPJQA-WJDWOHSUSA-N 456.476 3.661 10 10 JHCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2cc(C(=O)O)ccc2C(=O)O)C1=O 210494463 YDYAWZHNZBPSNH-MVZMPPLNSA-N 482.539 3.869 10 10 JHCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 504472527 ZILJQYFVSJHHBV-QRXMYIDTSA-N 454.482 3.850 10 10 JHCE biogenic O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 726706316 HBCZFEHRFMMXAE-LJQANCHMSA-N 483.519 3.941 10 10 JHCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030014 ABBYDGDOEKWVBD-JOCHJYFZSA-N 492.551 3.751 10 10 JHCE CC(C)N1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865877038 QXKJZZFUGCWXET-DEOSSOPVSA-N 462.594 3.714 10 10 JHCE CCc1sc(NC(=O)[C@H](N)CCC(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866020245 MFEYWPQBZYSXEM-GFCCVEGCSA-N 469.357 3.657 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](c3ccccc3)N(C)C)c3ccccc3)CC2)cc1 1868675237 CVHKQPRDVOJYCQ-RRPNLBNLSA-N 486.616 3.504 10 10 JHCE O=C1CCCN1CCCn1cc(OCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871264555 FGVGEEDQYOBZAD-UHFFFAOYSA-N 490.604 3.978 10 10 JHCE CN(C[C@@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCO1)C(=O)OC(C)(C)C 2163079247 GDPDOTUDEJFACD-QGZVFWFLSA-N 476.618 3.634 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 2297346717 YWCNQMUUTZJOEM-UHFFFAOYSA-N 466.837 3.714 10 10 JHCE CCCOC(=O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 1809464 XBYSHAJLXJICJX-FMQUCBEESA-N 452.557 3.758 10 10 JHCE CCc1ccc(C2=C(C)C(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)=NS2(=O)=O)cc1 9642252 QTRLLTPAPHKBDY-UHFFFAOYSA-N 494.661 3.816 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)c1 35625207 JTPDPPMZWVSVBT-CAPFRKAQSA-N 456.589 3.702 10 10 JHCE COc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cc(C(=O)C(=O)OC(C)C)c2C)cc1 138069305 IABZUEVNRJOKBC-UHFFFAOYSA-N 455.532 3.999 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 214756543 KMBRLZAKOWROEG-LDADJPATSA-N 473.532 3.929 10 10 JHCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(COc4ccccc4)c3)cc2)C1 918018691 BCGFBPYXCWOZFS-XMMPIXPASA-N 472.589 3.967 10 10 JHCE CC[C@](C)(NC(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867776765 KIHBUNVCVQXQCD-SQHAQQRYSA-N 450.627 3.995 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(F)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873426253 XVOYTUBDRUGPJA-UHFFFAOYSA-N 488.563 3.757 10 10 JHCE O=C(C=Cc1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12)O[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1903853547 GCJWPRRNLSHTRY-QHCPKHFHSA-N 492.436 3.880 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1F 2294095104 JHOWAYSICPNQPN-UHFFFAOYSA-N 490.443 3.808 10 10 JHCE Cc1ccc2nc(NCC(C)C)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(=O)n2c1 2296846388 HTXYBIJPUQLIEG-UHFFFAOYSA-N 488.635 3.917 10 10 JHCE CCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2314414755 LJTLJBBZVHQVRT-OAHLLOKOSA-N 458.609 3.595 10 10 JHCE COc1cccc(C2=NN(C(=O)CSc3nnc(N)s3)[C@@H](c3ccc(N(C)C)cc3)C2)c1 72413228 BNSBGURQAYZOFT-LJQANCHMSA-N 468.608 3.665 10 10 JHCE O=C(/C=C\[C@@H]1CC=CCC1)Oc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 228950101 IMPCYPFETZEDOE-WRZZMTLOSA-N 489.640 3.893 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C(=O)OC)C2)sc2c1CCCC2 1859478936 ODTVCPYJAAHRKN-CQSZACIVSA-N 470.547 3.582 10 10 JHCE CC[C@](C)(NC(=O)/C=C/c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861946694 PEUIXKKHMZDAJH-GEJZUGHGSA-N 455.986 3.996 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864014340 SJSOOJZKETVHDT-JOCHJYFZSA-N 494.567 3.849 10 10 JHCE Cc1cc(=O)oc2cc(OCC(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)ccc12 1865874970 MRKCTAWYJGYYCW-XMMPIXPASA-N 463.578 3.890 10 10 JHCE COC(=O)c1c(NC(=O)[C@@H](N)Cc2cnc[nH]2)sc(C)c1-c1ccc(Br)cc1 1866031644 OALBKBWPYUTRRB-AWEZNQCLSA-N 463.357 3.504 10 10 JHCE Cc1[nH]nc(C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1-c1ccccc1 1868163035 ULRJDIHCPIQMOO-UHFFFAOYSA-N 464.481 3.529 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nonc3OCCOc3cccc4ccccc34)CC2)cc1 1872682548 FOCQCYXFGMWYCR-UHFFFAOYSA-N 474.517 3.652 10 10 JHCE O=C(O)CCCNC(=O)CCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314827275 ALVZWLJSEYSWDU-UHFFFAOYSA-N 484.599 3.838 10 10 JHCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(C)c3ccccc32)c2cc(Br)ccc21 3648303 NYXVCGCYLPYDFT-ODLFYWEKSA-N 468.351 3.683 10 10 JHCE COc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 15046757 VEDGHXVXJXMSGU-OTWJJXBCSA-N 474.560 3.646 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 33474090 GCGOWJMBKYBOEW-GHRIWEEISA-N 471.535 3.864 10 10 JHCE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C[C@H]2CCCO2)C1=O 33749942 KHSCZSYIBMPIQP-WDMNMGCXSA-N 472.636 3.701 10 10 JHCE CC(C)C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 59922879 NLMNJXAWWMIRIR-FAWUNYRSSA-N 458.514 3.865 10 10 JHCE O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cccc(COCC(F)(F)C(F)F)c1 727797482 SBQXNEDORKXYBX-UHFFFAOYSA-N 462.465 3.741 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)cc(-c5cccc(C)c5)n4)CC3)CC2)cc1 1858551460 INDPFOXCYXSNGX-UHFFFAOYSA-N 487.604 3.731 10 10 JHCE Cc1nc2scc(C)n2c1/C=C1/SC(=S)N([C@@H](Cc2ccc(O)cc2)C(=O)O)C1=O 1858590190 BAKQLSADPKFPIL-MDNIKOHYSA-N 459.574 3.615 10 10 JHCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)SC1=S 1860826755 LVKNTPBPLWXBPE-YBFXNURJSA-N 483.571 3.617 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873166057 AFWIPMJVTFLIAI-HSZRJFAPSA-N 456.546 3.538 10 10 JHCE O=C(OCc1ccccc1)N1CCOC[C@H](NCc2cc(Cl)cc(Br)c2O)C1 2034725435 JEOCEUCPYGLYOD-QGZVFWFLSA-N 469.763 3.935 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)cc1 2294235379 IPFJMYFPCFPUAB-UHFFFAOYSA-N 476.514 3.842 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCCC1CCN(Cc2ccccc2)CC1 2296567529 GUBPPVKQOUWEII-UHFFFAOYSA-N 466.969 3.699 10 10 JHCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(OCCOCCOc2ccccc2)cc1 2297624975 RRJSIHOGACVJLG-UHFFFAOYSA-N 486.524 3.823 10 10 JHCE CC(Nc1ccc(S(N)(=O)=O)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2297734855 AHVVUYGOVLCLKG-UHFFFAOYSA-N 481.481 3.595 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330068498 VPYGADMBFCJUTP-XMMPIXPASA-N 467.635 3.685 10 10 JHCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)cc1OC 14479643 LWONUWQYAKTPJI-PEKRRXIPSA-N 470.591 3.988 10 10 JHCE O=C(O)CCCCCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15036605 GOCJWRUDNANHNB-LCYFTJDESA-N 461.392 3.956 10 10 JHCE O=C(O)CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 16907906 KBSGEEFJEKGVNN-MHWRWJLKSA-N 462.936 3.740 10 10 JHCE CN(C)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)cc1 20995187 ALGVOBGYHVLWNR-XMMPIXPASA-N 488.613 3.507 10 10 JHCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 33492714 OXDYPILKHWDVOH-JFPYRBRCSA-N 486.663 3.949 10 10 JHCE O=C(OCc1ccccc1)N1CCO[C@@H](CNCc2cc(Cl)cc(Br)c2O)C1 708111016 LOOPPEZVIBPCDZ-KRWDZBQOSA-N 469.763 3.935 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Cl)cc(Br)c3)cc2)CC1 1638588064 XIZHBVRQRUSMHA-UHFFFAOYSA-N 450.764 3.701 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(F)c(F)c3F)CC2)cc1 1862271988 VGDFRKFDKGNPOB-HSZRJFAPSA-N 497.517 3.802 10 10 JHCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010537 NFGDAMUJOLIOLT-QFIPXVFZSA-N 492.576 3.711 10 10 JHCE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1866114738 ZQYZIFHJZYVGQW-SVBPBHIXSA-N 475.637 3.625 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)c2nccn2C)cc1 1866532488 YWZSOXSPKAJUKV-NRFANRHFSA-N 480.366 3.610 10 10 JHCE C[C@H](CNCc1cc(Cl)cc(Br)c1O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238407700 HVPJSIFOTCSYLF-BLVKFPJESA-N 463.800 3.906 10 10 JHCE Cc1cc(C=C2C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2293188475 IRTFMOXOTQTOIZ-UHFFFAOYSA-N 459.527 3.996 10 10 JHCE Cc1cc(C=C2SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(I)cc1 2293798373 INIYZOVDDRPWDY-UHFFFAOYSA-N 482.299 3.820 10 10 JHCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1=Cc1ccc(N(C)C)cc1 2294082218 SSHZEPQDFFLZPU-UHFFFAOYSA-N 450.535 3.685 10 10 JHCE COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC(F)F)cc3)SC2=S)cc1OC 9097044 WELDFYZDOMCWMQ-CXUHLZMHSA-N 466.487 3.851 10 10 JHCE Cc1cc2c(N3CCC[C@H](C(=O)NCc4ccc(N5CCN(C)CC5)cc4)C3)nccc2s1 33174057 YRKJYGAPUDXUNB-NRFANRHFSA-N 463.651 3.889 10 10 JHCE COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O 33908992 PSDNHRCSAGMHME-OQFOIZHKSA-N 467.160 3.506 10 10 JHCE COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 34388165 BEDQUUBBDQKKCL-KGENOOAVSA-N 481.464 3.998 10 10 JHCE O=C(C1=CN(c2ccc(OC(F)(F)F)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1 65096353 QJIOXDLXUMCXDF-UHFFFAOYSA-N 488.871 3.864 10 10 JHCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1ccccc1F 96450600 XPDPMEXAIDYVEF-GDGNHNJGSA-N 470.507 3.993 10 10 JHCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)Nc1cc(OC)c(OC)c(OC)c1 205945448 KBXDIWCJHURRMH-FYJGNVAPSA-N 457.458 3.503 10 10 JHCE C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc2F)C[C@H](C)O1 918285973 CMYMXLYQUSIUNK-IRXDYDNUSA-N 483.540 3.736 10 10 JHCE Brc1cc(CNC[C@]2(N3CCOCC3)CCSC2)ccc1N1CCCCC1 1308227995 YEQWONGNAZTPPT-OAQYLSRUSA-N 454.478 3.737 10 10 JHCE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N(CC)CC)cc1 1705500451 NJMNMGNCMFXBNZ-SFHVURJKSA-N 450.612 3.622 10 10 JHCE CCC[C@@H](NC(=O)c1cc(Cl)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862138292 KCQNBHRFXANVSF-OAQYLSRUSA-N 459.974 3.605 10 10 JHCE CCc1ccc(OCCCC(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862231575 ZFZJUQDFZNUDFU-SANMLTNESA-N 479.621 3.756 10 10 JHCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864014062 MKFWDLTWMJAFCS-NRFANRHFSA-N 486.613 3.674 10 10 JHCE Cc1cc2c(cc1CCC(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)n(C)c(=O)n2C 1874179706 LQFCFRKZGNKTMP-UHFFFAOYSA-N 453.498 3.532 10 10 JHCE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)c([N+](=O)[O-])c1 2294199391 ZMLGSPBMUJASTB-UHFFFAOYSA-N 494.504 3.981 10 10 JHCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O)C(=O)O 2314930583 GIUFRVJWFWAQID-LLVKDONJSA-N 462.936 3.738 10 10 JHCE C[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1)C(=O)O 2314932401 VOIWSIFNMWWZFH-NSHDSACASA-N 462.936 3.738 10 10 JHCE O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2[C@H]2C=CC[C@H]21 14478337 HNTQWGBYFPIBBY-LZNNFJEDSA-N 455.536 3.879 10 10 JHCE COC(=O)Cn1cc(/C=C2\C(=O)N(Cc3ccccc3Cl)C(=O)N=C2O)c2ccccc21 33458196 VMMCMBNGJZPCAK-YVLHZVERSA-N 451.866 3.970 10 10 JHCE Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 101993282 KUDPOBLZUMIZMF-FSSWDIPSSA-N 455.441 3.829 10 10 JHCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526625279 QEQISGUYEONIAK-XMMPIXPASA-N 461.470 3.879 10 10 JHCE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 731016649 LWCPHEGYDCJRMH-IBGZPJMESA-N 474.583 3.592 10 10 JHCE CCCC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862149717 DLDNUAMAESQZOS-UVSKUAMOSA-N 495.620 3.749 10 10 JHCE CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862206016 ULLPRVHVSUDRRJ-GBXCKJPGSA-N 467.610 3.830 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864007769 UQJIIYAJQCXFRM-QFIPXVFZSA-N 460.534 3.735 10 10 JHCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865029591 QVABBAXLBKAWFB-QFIPXVFZSA-N 476.577 3.916 10 10 JHCE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OCC)CCC4)CC2=O)cc1 1865925994 WTZBMJNAYVDAOI-HNNXBMFYSA-N 470.547 3.582 10 10 JHCE C[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866905617 YAJODPFHUZYIJS-INIZCTEOSA-N 479.492 3.803 10 10 JHCE CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870771098 NNXKQUCWJSVWHM-UHFFFAOYSA-N 477.605 3.965 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H](C)c3ccccc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873168564 ZTHFMXFDIUFLBK-QHCPKHFHSA-N 498.627 3.857 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(F)cc3F)cc1C2=O 1873885753 UAIKETIOGRKFNV-UHFFFAOYSA-N 479.391 3.843 10 10 JHCE C[C@@H](CNCc1cc(Cl)cc(Br)c1O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238407703 HVPJSIFOTCSYLF-HXPMCKFVSA-N 463.800 3.906 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2ccc(Cl)cc2O)C1 2250305140 MXHVMCINZMTMTQ-UHFFFAOYSA-N 455.983 3.992 10 10 JHCE CCOc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1cccc(C)c1 2297345307 KUBRDRXTWZKZNT-UHFFFAOYSA-N 498.586 3.594 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCc1ccc(F)cc1 2313682223 XZXIXUGCXINIBW-UHFFFAOYSA-N 452.511 3.807 10 10 JHCE CN(C)c1ccc(CN[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@H]23)cc1 3841816 WXSVILKGJMNYCG-DOIPELPJSA-N 465.472 3.645 10 10 JHCE biogenic Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 20207924 USJZJPMFEPHGCO-IEHORWCKSA-N 477.571 3.869 10 10 JHCE O=C(O)CCCCCN1C(=O)/C(=C\c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S 33452780 MMEFVYRGMHWDLC-BMRADRMJSA-N 486.619 3.531 10 10 JHCE Oc1ccc(CNc2cc(I)cc(I)c2)c(O)c1O 690417586 PTASMELOVHVQBP-UHFFFAOYSA-N 483.043 3.625 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CC)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1860758849 RRFHTZBGOMNNPD-ZDUSSCGKSA-N 497.367 3.581 10 10 JHCE CC(C)CN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865877212 ACFYVXRQKBPXEP-VWLOTQADSA-N 476.621 3.962 10 10 JHCE COC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870874696 BMUBWEPFNLAOEE-UHFFFAOYSA-N 464.566 3.708 10 10 JHCE CC(C)Oc1ccc(C(=O)NCCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2040496784 UYNSWEGNEUUHCL-UHFFFAOYSA-N 470.572 3.834 10 10 JHCE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1 2313559620 HUHRPEQHBGUTOA-UHFFFAOYSA-N 472.339 3.970 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)c(C)s1 11857716 OCLRCWXZCYROCR-UHFFFAOYSA-N 459.549 3.876 10 10 JHCE CCOCCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 33780676 SWDZICMBTNNOSY-JXAWBTAJSA-N 472.636 3.621 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(C)n1-c1ccccc1 62694454 LFJHQJCFNMQXAQ-UHFFFAOYSA-N 472.010 3.937 10 10 JHCE Cc1cc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)cc3)C2=O)ccc1Br 83294998 YHBGVJXOXPTNIY-DHDCSXOGSA-N 459.252 3.728 10 10 JHCE Cc1nc(CN2CCN(C(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)CC2)cs1 106273521 XZCLFXIDICQXOL-UHFFFAOYSA-N 452.580 3.588 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)sc2c1CCCC2 170579076 FJYLRKGPTWTQST-ZDUSSCGKSA-N 456.520 3.524 10 10 JHCE COc1ccc(N2CCN(CN3C(=O)[C@]4(O[C@H]5CCCCC[C@H]5O4)c4ccccc43)CC2)cc1 253566278 ITBWGQSQTBSMAF-UFOJEMMLSA-N 463.578 3.722 10 10 JHCE COc1ccc(N2CCN(C(=O)CCN=c3nc(O)cc(-c4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1858541440 KKEPJOXRTDMOFH-UHFFFAOYSA-N 489.620 3.728 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=S)NS(=O)(=O)c3ccccc3Cl)cccc21 1858610326 PYSPNKQBKGGBBR-UHFFFAOYSA-N 456.932 3.791 10 10 JHCE CCCC[C@@H](NC(=O)Cc1cc(OC)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861898552 SPWJFVMPPZBFEG-XMMPIXPASA-N 488.028 3.924 10 10 JHCE CC[C@@](C)(NC(=O)CCCOc1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862214501 IONIPYNYIQXGBE-HHHXNRCGSA-N 467.610 3.796 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865029608 RIHLJLYWILYJQG-HSZRJFAPSA-N 474.561 3.933 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865034825 FQUJBJCWTMCYHN-QFIPXVFZSA-N 476.577 3.866 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(-c4cccnc4)on3)c3ccccc3)CC2)cc1 1868982284 CJVBQZHVLDVFGO-AREMUKBSSA-N 497.555 3.565 10 10 JHCE Cc1nc(NC(=O)C(C)C)sc1S(=O)(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1871342563 QBVIBCJZNITKQC-UHFFFAOYSA-N 469.544 3.622 10 10 JHCE Cc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873166200 GLSBZIYEBDANEQ-UHFFFAOYSA-N 456.590 3.834 10 10 JHCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCO1 2163089296 JPDRVYATRMRUBA-HRAATJIYSA-N 476.618 3.680 10 10 JHCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 2294093718 IBAHNZAYNHCCMN-UHFFFAOYSA-N 481.804 3.903 10 10 JHCE CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(O)nc(O)n(-c2ccc(Cl)cc2)c1=O 2297604758 IPPFVWUFDAIJKG-UHFFFAOYSA-N 450.882 3.720 10 10 JHCE CCOc1cc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)ccc1OC 2323809242 OZPXPMPUXCHPBC-INIZCTEOSA-N 459.545 3.697 10 10 JHCE O=C(c1ccccc1)[C@H]1C2(C(=O)c3ccccc3C2=O)N2CCC[C@H]2[C@@]12C(=O)Nc1ccccc12 16041719 PFNVEKFZIFJNBO-ZQIDGUAPSA-N 462.505 3.672 10 10 JHCE biogenic COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1cccc(OC)c1 20287152 NOHLTNFINYQOEA-KGENOOAVSA-N 450.520 3.634 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254734655 HWENAFYXPGFNEV-VWLOTQADSA-N 489.641 3.988 10 10 JHCE COc1ccc(N[C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)cc1OCC(N)=O 917632326 ANIWGXBMMMJXOB-FQEVSTJZSA-N 473.489 3.719 10 10 JHCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Br)cs3)C2=O)c1 1083950243 FJTLOZJIOHYQKK-ZROIWOOFSA-N 465.325 3.974 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)cc(-c5ccc(C)cc5)n4)CC3)CC2)cc1 1858553589 WSSVIRFHNVBMTJ-UHFFFAOYSA-N 487.604 3.731 10 10 JHCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864020002 UCDNFLLBDWFTCW-IBGZPJMESA-N 468.941 3.719 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864023509 ZSGWPXPEHCMRIA-HXUWFJFHSA-N 478.549 3.508 10 10 JHCE CC[C@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867723328 FSYRPXNPFHNRMY-UIOOFZCWSA-N 494.636 3.530 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(N5CCCCC5)CC4)nc(C)n3)CC2)cc1 1867990275 KAKPSZIKFVZWCI-UHFFFAOYSA-N 450.631 3.575 10 10 JHCE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)C2)cc1 1892096381 FJEGGFBOVYOZBU-ZDXQCDESSA-N 467.635 3.701 10 10 JHCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(SCc4ccco4)o3)C(=N)N21 2297348066 DJKFKFWZMFYFGJ-UHFFFAOYSA-N 478.577 3.812 10 10 JHCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2314414119 QENLOFPLQLUFCG-UHFFFAOYSA-N 484.603 3.836 10 10 JHCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 2314433989 ZFFQAJDSGZZFFD-HNNXBMFYSA-N 477.585 3.512 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1182445 AMOLOGGAUVSCDN-MOSHPQCFSA-N 461.405 3.979 10 10 JHCE COc1ccc(N2CCN(C(=O)c3csc(Nc4ccc(OC)cc4OC)n3)CC2)cc1 9209024 SXYSTOVMSDVWHQ-UHFFFAOYSA-N 454.552 3.875 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(F)c(F)c3)c3ccc4c(c3)OCO4)CC2)cc1 20614512 XUWOCFINZHXOMX-DEOSSOPVSA-N 495.526 3.995 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cnn5c(C)cc(C)nc45)ccc3C)CC2)cc1 33298067 UVHXREXSELRGEG-UHFFFAOYSA-N 491.617 3.841 10 10 JHCE CC(C)C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]21 59922872 NLMNJXAWWMIRIR-RNLGNXJRSA-N 458.514 3.865 10 10 JHCE COc1ccc(CC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1OC 62694216 ZPGKZALBPSMWNN-UHFFFAOYSA-N 475.589 3.681 10 10 JHCE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)NCCc3cc(C)n(-c4ccccc4)c3C)C2=O)c1 730770133 SVTJJCSSGKXHAE-DEOSSOPVSA-N 458.562 3.966 10 10 JHCE CCOc1ccc(S(=O)(=O)NC(=S)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858608991 YPAZKOIQWKGUQF-UHFFFAOYSA-N 466.540 3.536 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027017 DATKFIRZMBDFGZ-WAIKUNEKSA-N 474.561 3.604 10 10 JHCE CC[C@H](C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866958131 XZAUGQGJMLSHCM-HTAPYJJXSA-N 490.943 3.725 10 10 JHCE CCCC[C@@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868631230 KYCPVJQJHWIPMB-HXUWFJFHSA-N 466.538 3.581 10 10 JHCE CCCN(CCC)c1nc(=Nc2cc(S(=O)(=O)CC)ccc2O)nc(N(CCC)CCC)[nH]1 1871737128 USFPMPJQEIEZMW-UHFFFAOYSA-N 478.663 3.789 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(C3CC3)C2=O)cc1 1873168183 LXXYJLLULCWPAB-UHFFFAOYSA-N 455.514 3.855 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCCc3ccc(C)cc3)n4C)CC2)cc1 1873566632 NTTGXVWQIKFLSI-UHFFFAOYSA-N 484.604 3.584 10 10 JHCE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1881305888 KFTUADKJGNHHGO-GKVSMKOHSA-N 460.619 3.801 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 1892111015 HSSALPBSVCBKHU-FQEVSTJZSA-N 498.432 3.504 10 10 JHCE CCc1nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c(I)c1C(=O)OC 2079984489 GWDSOZZADNTGCT-INIZCTEOSA-N 470.307 3.940 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2080030024 HVXMDNULYHRMNS-GOSISDBHSA-N 454.308 3.961 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=N)N21 2297345565 HZLRDPMOOFHFGM-UHFFFAOYSA-N 493.973 3.898 10 10 JHCE Cc1ccc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 2297352729 QKKJZBBRFPWKRZ-UHFFFAOYSA-N 462.579 3.938 10 10 JHCE CCOC(=O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 2297460494 OFTPMALALOFSGC-IBGZPJMESA-N 492.578 3.953 10 10 JHCE Cc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1C 2297577009 KCOCLHFKJWSLDM-UHFFFAOYSA-N 468.600 3.947 10 10 JHCE COc1cc(NC(=O)c2cc(Br)ccc2OC)c(N2CCOCC2)cc1OC 20496415 TWNKEIPIBUKKLX-UHFFFAOYSA-N 451.317 3.564 10 10 JHCE O=C(CSc1nccnc1Sc1ccccc1)NCc1ccc(N2CCOCC2)cc1 33288910 WQRAAKYYVLKBCW-UHFFFAOYSA-N 452.605 3.873 10 10 JHCE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCOC)C2=O)cc1 33931765 OAYDIUCGAVAYLD-NBVRZTHBSA-N 467.572 3.897 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)cc(Br)c3N)c2)CC1 1466926711 VMPRBBBTBOQIDH-UHFFFAOYSA-N 451.752 3.606 10 10 JHCE COc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc(OC)c1OC 1536625805 LIHJSHRGZYUQEK-UHFFFAOYSA-N 455.338 3.747 10 10 JHCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C(=O)OC)C1 1705654098 XNZCTLIGKLHEGB-FQEVSTJZSA-N 463.607 3.718 10 10 JHCE COc1cc(CNCCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(OC)c1OC 1860710668 WNKSLZGHHBHTAJ-UHFFFAOYSA-N 474.513 3.606 10 10 JHCE CCCOc1ccc(C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862064926 WFOQUKIYGLCPBZ-SANMLTNESA-N 453.583 3.731 10 10 JHCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864009317 FEDIOXBMPMWCRJ-HXUWFJFHSA-N 486.931 3.663 10 10 JHCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H](C)CC)[C@H]2c1ccc(O)c(O)c1 1864017372 KPHPTYKWKGALJZ-BTYIYWSLSA-N 492.576 3.989 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)nc(Nc4ccc(O)cc4)[nH]3)CC2)cc1 1871720813 KTAKGUWKTRUGOG-UHFFFAOYSA-N 463.586 3.536 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1O 2297498979 SLUAVZDUTJGYGK-UHFFFAOYSA-N 465.350 3.710 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@H](C(=O)NCCc4cccs4)[C@@H]3C2)cc1 35894560 XVYKJFNRYFBWMX-ZCYQVOJMSA-N 492.601 3.891 10 10 JHCE Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1 100436370 OCQKYZZHUNJELP-RJGXRXQPSA-N 451.478 3.686 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(SC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084538261 ZCARHIXSGAWJOD-HSZRJFAPSA-N 493.654 3.586 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Cl)ccc3Br)cc2)CC1 1634074625 RDMVIPGSXRFKKO-UHFFFAOYSA-N 450.764 3.701 10 10 JHCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3ccc(OC)c(OCC)c3)SC2=S)CC1 1858591678 VHEKGWVCGQZAJY-QGOAFFKASA-N 450.582 3.916 10 10 JHCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCC1CCOCC1 1860344968 KYTWANUZDXRPQA-UHFFFAOYSA-N 456.546 3.507 10 10 JHCE CCC[C@H](NC(=O)/C=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862144957 OPJKOAGLOOSPQG-PZVJUEDKSA-N 455.986 3.996 10 10 JHCE CCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccccc1 1873583248 PFEXQEBIIQHJOU-UHFFFAOYSA-N 470.577 3.565 10 10 JHCE CC(C)(C)OC(=O)NC[C@]12C[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2272654344 CKQPBMDPTBYEHQ-LMKMVOKYSA-N 458.603 3.913 10 10 JHCE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 2294133738 FWVHDBGKQCHFGK-UHFFFAOYSA-N 461.449 3.686 10 10 JHCE CCCN(CC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2297709398 LLOYNBZFLWBEDU-INIZCTEOSA-N 472.636 3.619 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)c(Br)o1 2313570722 DUHZMHIKYHYDQQ-UHFFFAOYSA-N 458.037 3.610 10 10 JHCE CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 8760834 AHQZYWQHRQBDLR-UUYOSTAYSA-N 460.486 3.726 10 10 JHCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCOCC3)nc12 33517534 SDVACWVYLBYDJN-SWEXZPIWSA-N 492.626 3.802 10 10 JHCE CCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 35300238 OUPZEHNMLJCJSU-LDADJPATSA-N 466.588 3.845 10 10 JHCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc3c(c2)OCO3)SC1=S 40066612 BEZKTKQDEZKOCC-JMIUGGIZSA-N 496.614 3.908 10 10 JHCE COc1ccc(N2C(=O)/C(=C\c3cc(OC)c(O)cc3Br)C(O)=NC2=S)c(OC)c1 96476686 RNINVBPWMYXQJX-SDQBBNPISA-N 493.335 3.852 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCSc2nccs2)[C@@H](C)C1 1359387029 UQKGQQCXNFXYHJ-AWEZNQCLSA-N 478.047 3.689 10 10 JHCE CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 1760621917 KMBQPZHUSFSPLF-XTQVGHSUSA-N 486.636 3.507 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007581 PVVNAWOBQOHKPJ-QFIPXVFZSA-N 478.549 3.602 10 10 JHCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864017103 FNMLEKDEGLVWFN-OAQYLSRUSA-N 492.576 3.847 10 10 JHCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864018009 ANQFEKXAGQHBDT-LJQANCHMSA-N 468.941 3.541 10 10 JHCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865032531 FHBVDXPXASYICN-HXUWFJFHSA-N 480.952 3.816 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 1867348923 GSXKWCXVMUNPKW-HSZRJFAPSA-N 481.597 3.513 10 10 JHCE CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867778449 SAWVKGZOJLQQCY-RPBOFIJWSA-N 482.694 3.948 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3C[C@@H]3CCCO3)CC2)cc1 1870466452 GPWKPMBEDXYWFY-MHZLTWQESA-N 489.616 3.937 10 10 JHCE COC(=O)c1c(C(F)(F)F)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2079857935 IHUCDYPDGMVBQB-ZETCQYMHSA-N 470.185 3.617 10 10 JHCE COc1ccc([C@H](n2nc(C(F)F)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2079872843 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CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 728839738 LODTULHHGYGUBD-UHFFFAOYSA-N 483.556 3.744 10 10 JHCE CCCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)Oc3ccc(N)cc3)cc21 1858694494 GVWDYCMBEFEYGE-UHFFFAOYSA-N 476.489 3.672 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4[nH]3)CC2)cc1 1862074227 UGXACRUGAYHWER-MHZLTWQESA-N 482.584 3.866 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc4nc(CC(C)C)[nH]c4c3)CC2)cc1 1862107584 UKQGVWNVQJROLA-VWLOTQADSA-N 489.620 3.723 10 10 JHCE CCCC[C@H](NC(=O)/C=C/c1ccc(OC)cc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862149716 DLDNUAMAESQZOS-RBZVCHSGSA-N 495.620 3.749 10 10 JHCE CC(=O)Nc1ccc2[nH]cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866438612 FKSIOGMPXQSGGI-VWLOTQADSA-N 475.593 3.510 10 10 JHCE CC[C@H](NC(=O)c1ccccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867914358 FBOAUPMOFKVDKC-ZEQRLZLVSA-N 466.626 3.613 10 10 JHCE O=C(CNC(=O)[C@@H](Cc1ccncc1)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868137574 QFRGOFUXMHSENA-DEOSSOPVSA-N 489.531 3.938 10 10 JHCE COc1ccc([C@@H](n2nc(C3(C)CC3)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2080037288 YTNBRXSMSYGMAT-MRXNPFEDSA-N 481.334 3.742 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2297340985 ZUHOLYUHIAWSIT-UHFFFAOYSA-N 491.431 3.988 10 10 JHCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1Cl 2297345312 LLOGNNBZJULUEN-UHFFFAOYSA-N 475.983 3.677 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1 2297346156 IDUWZRVFIIZOHR-CQSZACIVSA-N 468.560 3.838 10 10 JHCE C[C@@H](Oc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)C(=O)O 2313543643 YEERQVTTZBTHPA-SNVBAGLBSA-N 465.314 3.677 10 10 JHCE CC[C@H](C)[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2323827140 AYHRIKWQMABVEH-ISVAXAHUSA-N 460.371 3.864 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=N)N21 20206788 MHBPLQJGXMYCJE-MQIWZSEOSA-N 469.592 3.722 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)NC[C@H]1CCCO1 35132381 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C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C(=O)NC)CC1 1705827172 XDEVUXWVIXGOLU-UHFFFAOYSA-N 476.625 3.908 10 10 JHCE CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(OC)cc4)CC3)nc2)cc1 1858436431 BBMTUHSEAXPBAK-UHFFFAOYSA-N 468.579 3.616 10 10 JHCE CCCOC(=O)c1ccnc(NC(=O)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1858762405 MXJYSXWWZVHVGW-UHFFFAOYSA-N 485.496 3.781 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cnn(-c4cc(F)cc(F)c4)c3-n3cccc3)CC2)cc1 1860175580 NDEGBXUNFUWJOJ-UHFFFAOYSA-N 463.488 3.912 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccccc3F)CC2)cc1 1862115776 VRBMPYCINGTGHI-RUZDIDTESA-N 479.527 3.663 10 10 JHCE COc1cc(Cl)c(OC)c2c(=O)c(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c12 1866441113 KQTIMCIEHKOZOT-HXUWFJFHSA-N 495.967 3.518 10 10 JHCE CCOc1cn(CCCCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870366828 KYUXSBCDJDWYHB-UHFFFAOYSA-N 470.658 3.700 10 10 JHCE CCc1ccc(Nc2nc(=NC[C@H]3CCCO3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584232 VXHCTSHZFGFHRX-XMMPIXPASA-N 489.624 3.526 10 10 JHCE 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Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4F)C(=O)[C@@H]23)c1 59098825 XJTBZINIILWAFX-FSSWDIPSSA-N 455.441 3.829 10 10 JHCE Oc1cc2c(cc1CNc1cc(I)cc(I)c1)OCO2 709772835 LKNAPMXYRRPAML-UHFFFAOYSA-N 495.054 3.942 10 10 JHCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](CC)C1 1705929939 AYIJTZOYDHZFSW-JOCHJYFZSA-N 483.638 3.569 10 10 JHCE CC(=O)N1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccccc2O)CC1 1749808150 VGYGAAIFHPXKNW-UHFFFAOYSA-N 487.402 3.636 10 10 JHCE COc1ccc(Cc2c(C)nc(SCC(=O)N3CCN(c4ccc(OC)cc4)CC3)nc2O)cc1 1858518560 RGMUCGKHLSQWQG-UHFFFAOYSA-N 494.617 3.540 10 10 JHCE CC1CCN(c2ccc(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cn2)CC1 1860742225 BLDBLTVWLQQAHI-UHFFFAOYSA-N 468.513 3.671 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(S(=O)(=O)c4cccs4)CC3)cc2)c1 1860923519 BFSXSUMHVBRXEZ-UHFFFAOYSA-N 484.647 3.573 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCOc1ccccc1)=C(N)O2 1864013474 BOOSVSYIJQHXST-QFIPXVFZSA-N 492.576 3.547 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865025789 CWTXYHADBUMTMB-QFIPXVFZSA-N 460.534 3.689 10 10 JHCE CCC[C@H](NC(=O)c1cc(C2CC2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867151211 GLBSBLZQZMYNDB-IBGZPJMESA-N 457.486 3.865 10 10 JHCE COc1ccc(N2CCN(c3cc(N(C)CCO)nc(-c4ccccc4Cl)n3)CC2)cc1 1867978714 NSFNWYVOHWYGMT-UHFFFAOYSA-N 453.974 3.561 10 10 JHCE CCCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871469821 FCTXYFCDBXCLAE-UHFFFAOYSA-N 498.429 3.957 10 10 JHCE COc1ccc(N2CCN(Cc3ccc(C(=O)NC[C@H]4COc5ccccc5O4)cc3)CC2)cc1 1872884003 GSMBHQLRXHRJRR-VWLOTQADSA-N 473.573 3.587 10 10 JHCE CCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC 1873570986 RKNAJLXYDVIXSA-UHFFFAOYSA-N 450.587 3.706 10 10 JHCE COc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(CO)c2I)c(O)c1 2080023777 DTRDDNYMXMFVDP-GOSISDBHSA-N 454.308 3.961 10 10 JHCE C[C@H](C(=O)O)N1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2293308692 ZDMYNNPYCMANND-LLVKDONJSA-N 458.948 3.931 10 10 JHCE Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 2294094912 DLTXGLNAGIDZFE-UHFFFAOYSA-N 473.460 3.818 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1 2296055621 KGVVBWUWCUCONV-UHFFFAOYSA-N 460.563 3.726 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(NC[C@@H]3CCCO3)nc12 2296710753 ZXHKGYNAHDMLQJ-INIZCTEOSA-N 470.620 3.738 10 10 JHCE O=C1NC(=S)SC1=Cc1cccc(OC(=O)c2ccccc2I)c1 2297506230 GTFSOCNPLYEOCF-UHFFFAOYSA-N 467.309 3.999 10 10 JHCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(I)cc1 2297511174 GWAGRKITHUPGSL-UHFFFAOYSA-N 467.650 3.523 10 10 JHCE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1 2297551012 NOHZSAXBFDLQOZ-UHFFFAOYSA-N 460.465 3.858 10 10 JHCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)c1)C(=O)O 2314930613 GQCIGGHRWHOICD-INIZCTEOSA-N 460.508 3.614 10 10 JHCE CC(C)CN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 34688549 YJCVYFIWWLCFLY-SFQUDFHCSA-N 460.625 3.779 10 10 JHCE Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=O)OC(C)(C(C)(C)C)OC3=O)cc2)cc1[N+](=O)[O-] 59643797 YSAHAOGSMZJSIU-UHFFFAOYSA-N 489.502 3.917 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)COc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1862244442 JDWLBCUZEUEBTP-SANMLTNESA-N 493.991 3.934 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3ccccc3)CC2)cc1 1862288965 QQCSPRIHCHFZDD-HHHXNRCGSA-N 471.601 3.704 10 10 JHCE CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868831492 LRMDTEDLLINCPW-SDHSZQHLSA-N 467.585 3.962 10 10 JHCE CO[C@H](Cc1ccc(O)c(O)c1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1952306670 OXRFJROGXZCCRO-RPWUZVMVSA-N 463.486 3.647 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 2296885522 YNVKDZQWTKUZSE-UHFFFAOYSA-N 487.515 3.649 10 10 JHCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 2297329470 SBTOYRGMOZNFFE-UHFFFAOYSA-N 496.932 3.720 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1ccc(F)cc1 2297345758 ZFRUBWWOKKZZTL-UHFFFAOYSA-N 487.582 3.881 10 10 JHCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=Cc1c(O)nc(O)n(-c2cccc(Cl)c2)c1=O 2297456473 NLVGILDULOZOFC-UHFFFAOYSA-N 457.273 3.757 10 10 JHCE COc1cccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)c1OC 2313548288 RDCXJAKUUMFOPW-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)CCCN3C)CC2 14741445 GSAOQGKSQFUWDN-UHFFFAOYSA-N 490.648 3.557 10 10 JHCE Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCSCC4)nc4ccccn4c3=O)SC2=S)cc1 102431111 QIQTUVXRJZOJEC-XMHGGMMESA-N 494.667 3.958 10 10 JHCE O=C(Cn1cc(/C=C2\C(=O)N(Cc3cccs3)C(=O)N=C2O)c2ccccc21)NC[C@H]1CCCO1 102587063 UWHVLFZQCZKZOT-LELXDKESSA-N 492.557 3.500 10 10 JHCE CN(CCC(=O)O)C(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586620065 FWMYKBORULKGLT-UHFFFAOYSA-N 471.469 3.653 10 10 JHCE COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 1083997440 ZKKKXQBNTGMHDU-MOSHPQCFSA-N 461.449 3.686 10 10 JHCE COc1ccc(N2CCN(Cn3nc([C@H](C)N(C)C)n(-c4ccc(F)cc4)c3=S)CC2)cc1 1086924729 TWUXASGFMQZPLT-SFHVURJKSA-N 470.618 3.953 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)CCCN3C)CC1 1301640091 KPUSBONXDGQTBE-UHFFFAOYSA-N 452.647 3.745 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(C)O)CC1 1540928372 XLQDRRJTYXILKW-UHFFFAOYSA-N 478.641 3.961 10 10 JHCE CC(=O)Nc1ccc2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c2c1 1866438578 ZARLZQXPCNFLFR-VWLOTQADSA-N 475.593 3.510 10 10 JHCE CS(=O)(=O)Nc1nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2s1 1874017783 WIUJTDHPNJRTAX-UHFFFAOYSA-N 477.523 3.696 10 10 JHCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCCCO)ncnc21 1875206784 GBJODSZCCJXVBO-UHFFFAOYSA-N 494.640 3.777 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(=O)n5cc(C)ccc5nc4n3Cc3ccco3)CC2)cc1 1875239474 NLAFBJBLMLAWCG-UHFFFAOYSA-N 497.555 3.570 10 10 JHCE COCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2314414782 MBLMDSLZLYBWOH-UHFFFAOYSA-N 458.609 3.533 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(C(=O)O)c1 6974568 XEAMMCNTRIVHOC-VCHYOVAHSA-N 470.528 3.734 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cnn(C)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 9227878 KFKNZMROQXUECQ-UHFFFAOYSA-N 483.613 3.506 10 10 JHCE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1 35189715 ZQEYVSXAZWPDTE-JZQBQCRLSA-N 492.626 3.995 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CC)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1860758848 RRFHTZBGOMNNPD-CYBMUJFWSA-N 497.367 3.581 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033541 BXLUMXCEMYLRMM-HSMVNMDESA-N 480.487 3.532 10 10 JHCE CCC[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868811680 XOHUOUITKIFKBU-DEOSSOPVSA-N 476.577 3.526 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 1892111016 HSSALPBSVCBKHU-HXUWFJFHSA-N 498.432 3.504 10 10 JHCE O=C1C(=Cc2ccc(O)c(I)c2)SC(=S)N1Cc1cccnc1 2293250219 UATZPSFKPFOSQD-UHFFFAOYSA-N 454.314 3.793 10 10 JHCE O=C1/C(=C/c2ccccc2OC(F)F)SC(=S)N1CC(=O)N(CCO)c1ccccc1 16922579 FXGMSFLBTZDUIZ-ATVHPVEESA-N 464.515 3.515 10 10 JHCE CCOc1cc(C(=O)Nc2cc(OC)c(OC)cc2N2CCOCC2)cc(OCC)c1OCC 20496472 BNDVLHPHHIXJOR-UHFFFAOYSA-N 474.554 3.989 10 10 JHCE O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccccc1Br 27533890 JNBYQDGSYBOESW-NTEUORMPSA-N 459.350 3.872 10 10 JHCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)cc1 210607813 BHQAYDMZEQDAFS-ROFRLSBZSA-N 455.513 3.600 10 10 JHCE CCOc1cccc(/C=C2/SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)c1O 1860085704 VKRVXHYYEZYWIO-HMMYKYKNSA-N 455.605 3.949 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(CN3CCN(C(=O)Cc4ccccc4)CC3)cc2)c1 1860845681 MTULSNXIZIIXQS-UHFFFAOYSA-N 456.590 3.892 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008189 FHPZPNNWFVAODD-QHCPKHFHSA-N 474.561 3.713 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864013811 GQRZTRCDIKTBMK-OAQYLSRUSA-N 468.513 3.781 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865034970 ILPYUOCABMSGKC-NRFANRHFSA-N 462.550 3.620 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1sccc1C 1865333363 CWRZVDNYNJZCKL-NRFANRHFSA-N 493.633 3.633 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C(N)=O)c2I)c(O)c1 2080026143 VGKODZJFUCWHBZ-KRWDZBQOSA-N 467.307 3.568 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)O)c4)cc3)C2=O)cc1 2294093789 PWKYVPCKDRTFIO-UHFFFAOYSA-N 456.454 3.939 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C2=O)c1C 2297309991 HTKXHDLJTNSOQA-UHFFFAOYSA-N 470.529 3.547 10 10 JHCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)cc1 2297341136 XHROSAOGFJDRGF-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 2297467867 NMKMWAVMKKBDTM-UHFFFAOYSA-N 484.628 3.621 10 10 JHCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2O)C1=O)C(C)=O 2314926390 IEMUAWLZZFGQRI-KRWDZBQOSA-N 456.545 3.685 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(OCCC(=O)O)c(OC)c3)SC2=S)c(OC)c1 2314931859 IJJPIOGBDJRAEL-UHFFFAOYSA-N 475.544 3.972 10 10 JHCE O=C(O)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 33400361 YJMNVFJVDBLWSW-NTEUORMPSA-N 463.334 3.694 10 10 JHCE CCc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 35638420 WMOVYVHZUVLVEI-XSFVSMFZSA-N 492.626 3.887 10 10 JHCE COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 39793957 MTSJBLYJICQYSY-SXGWCWSVSA-N 479.377 3.964 10 10 JHCE CCOC(=O)CCCCCN1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 40928600 LSJAJZYLLMMJFM-PTNGSMBKSA-N 454.526 3.634 10 10 JHCE O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1 103101989 ZBQTYFPYCSKYQK-XLNRJJMWSA-N 452.624 3.670 10 10 JHCE COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccc(C(C)(C)C)cc4)C3=O)CC2)cc1 104752800 GMELBTIPYIUIEI-SANMLTNESA-N 450.583 3.539 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3c[nH]c4ccc(Br)cc34)cc2)CC1 1457790823 RILALINVKNEETE-UHFFFAOYSA-N 455.356 3.529 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc(Cl)c3)CC2)cc1 1861925061 GAIFTPFEVUBKQT-OAQYLSRUSA-N 462.015 3.549 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864011883 MFXZSJNUKPXKTJ-HSZRJFAPSA-N 476.577 3.816 10 10 JHCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864017494 NRQDMAQGIZMVPT-JOCHJYFZSA-N 492.576 3.711 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865028175 RDIKWUQJEGISNG-HXUWFJFHSA-N 468.941 3.808 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865028771 XVZAOEKIPFSYGW-LNPFQXMTSA-N 474.561 3.791 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033694 GQSOXMMQPDTUSO-CXAGYDPISA-N 494.514 3.922 10 10 JHCE CC/C(=C\C(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1ccc(OC)cc1 1868661072 NFWDBWZGPDNBDB-DYCVSJHOSA-N 479.621 3.987 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(CO)c2I)c(O)c1 2080030025 HVXMDNULYHRMNS-SFHVURJKSA-N 454.308 3.961 10 10 JHCE Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2C(=O)NN(c3ccccc3)C2=O)c1 2293358573 OCQHFPCJVVGIIH-UHFFFAOYSA-N 459.458 3.822 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1 2297346503 QHBQTIYKDSTYSK-UHFFFAOYSA-N 493.973 3.898 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@H](C(=O)O)c4ccccc4)c4ccccc34)[C@@H]21 2297718096 FXAAYYJDPLOBIW-AHKZPQOWSA-N 494.551 3.730 10 10 JHCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323808896 QGVOQYRSZCVCKQ-NSHDSACASA-N 450.376 3.996 10 10 JHCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cccs1 1024330 QRIUOHPKSMZLNA-MNJKBJKMSA-N 481.643 3.706 10 10 JHCE CN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 1282679 FPVBJXIXRQVGAG-WUKNDPDISA-N 477.489 3.892 10 10 JHCE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15038576 ALVZWLJSEYSWDU-HKWRFOASSA-N 484.599 3.838 10 10 JHCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(I)c(O)c(OC)c3)C2=O)cc1 17086526 VDDYDPWBSJXVCS-QPEQYQDCSA-N 494.241 3.521 10 10 JHCE COc1ccc(/C=C2/Oc3ccccc3N(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 33746938 SHWHNKJNRZMBIM-ZXVVBBHZSA-N 499.567 3.819 10 10 JHCE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39989706 CJJMOGUSLXZZDT-SFTHAYLZSA-N 486.663 3.665 10 10 JHCE CC(C)CCN1C(=O)/C(=C\N(CCN2CCOCC2)Cc2ccccc2F)SC1=S 97514619 RZBQQKXKPARPBN-CAPFRKAQSA-N 451.633 3.708 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4OC)c4ccccn34)CC2)cc1 1858230120 ISXHFBSPMMWITG-UHFFFAOYSA-N 485.544 3.566 10 10 JHCE Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864008739 QZRNHTXIQSGQMR-LJQANCHMSA-N 499.365 3.574 10 10 JHCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccc2)=C(N)O3)cc1 1864023449 ZDKQCVTYWMMPIF-QFIPXVFZSA-N 498.539 3.518 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865025949 GMXCOCFBYDDJQF-IQMFZBJNSA-N 492.551 3.886 10 10 JHCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030655 OAOZXKKGVZFPPO-QFIPXVFZSA-N 494.567 3.997 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2cc3cc(Br)ccc3oc2=O)c2nccn2C)cc1 1866290095 RMUAKRUADKAYIP-FQEVSTJZSA-N 481.350 3.874 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3c(Cl)ccc(O)c3[nH]2)N2CCCCC2)cc1 1866553387 RXDFSTARODFPFW-FQEVSTJZSA-N 468.985 3.910 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@]3(C)Oc4ccccc4N(Cc4ccccc4F)C3=O)CC2)cc1 1871335753 AXXKWENYLSHRAZ-NDEPHWFRSA-N 489.547 3.867 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873166506 REYNFVUMRPUXDN-RUZDIDTESA-N 490.648 3.819 10 10 JHCE CCn1c(C(=O)N2CCC(C)CC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546281 JJZURYJDHWLLMP-UHFFFAOYSA-N 462.598 3.659 10 10 JHCE CC(C)(C)OC(=O)NCCc1nc(=NCc2cc(Cl)cc(Br)c2O)s[nH]1 2229904940 GPVFZRINLRGAHX-UHFFFAOYSA-N 463.785 3.761 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C2=O)cc1 2294118756 XNOUEKKJXPPLFG-UHFFFAOYSA-N 463.402 3.538 10 10 JHCE O=C(CN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2ccccc21)NCCc1ccccc1 2296714373 QGGVSVLGFGEOIE-UHFFFAOYSA-N 491.638 3.906 10 10 JHCE CCOc1cc(C=C2C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OCC(N)=O 2297365499 XQZHKFQYOMOOAY-UHFFFAOYSA-N 458.312 3.518 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(CCCC(=O)N(CCO)C(C)(C)C)C2=O)cc1 2297580022 HOHSPTVTHVVRGP-UHFFFAOYSA-N 450.626 3.686 10 10 JHCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])SC2=S)c1 2314539425 SHQUKXUEOGVUTK-UHFFFAOYSA-N 456.457 3.953 10 10 JHCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 2314768048 BRXFHFQRKXRDPN-UHFFFAOYSA-N 483.615 3.788 10 10 JHCE CC[C@H](C)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2323827219 IIOIIEZAGYJDMP-LIRRHRJNSA-N 464.609 3.634 10 10 JHCE CCn1c(C(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc2sccc21 9847731 XJKVVQMZXQQYMH-LJQANCHMSA-N 480.634 3.932 10 10 JHCE Cc1c(/C=C2\SC(=S)N(C(C)C)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 40066541 DDPTZYLREWKVAF-UNOMPAQXSA-N 452.605 3.830 10 10 JHCE Cc1ccc(C(=O)NN2C(=O)/C(=C3/C(=O)N(C)c4ccc(Br)cc43)SC2=S)cc1 40940527 BKBXMTRPCRRAHH-NXVVXOECSA-N 488.388 3.650 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2cccc(C)c2C)[C@H]2CCS(=O)(=O)C2)cc1 54310998 DKYQIKDHGYKUNO-QHCPKHFHSA-N 458.624 3.744 10 10 JHCE CCN(Cc1ccccc1)C(=O)CSc1cc(N2CCN(c3ccc(OC)cc3)CC2)ncn1 65133731 BTGNULJLCJCGJC-UHFFFAOYSA-N 477.634 3.953 10 10 JHCE COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1OC(C)=O 83313672 FGFWSPLOMBTYOQ-YVLHZVERSA-N 460.489 3.943 10 10 JHCE NC(=O)[C@@H]1CN(C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccs2)c2ccccc2O1 96585312 HKHBGVPPJWJPLA-MLUDITRGSA-N 470.554 3.953 10 10 JHCE COc1cc(S(=O)(=O)O)c(C)cc1/N=N/c1cc(S(=O)(=O)O)cc2ccc(O)cc12 97973731 IIXZTVWSYLWGHP-FMQUCBEESA-N 452.466 3.771 10 10 JHCE COc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCCC(=O)O)c(OC)c3)S2)c(OC)c1 210450069 KRLFAMUETJRAIS-ODLFYWEKSA-N 458.492 3.648 10 10 JHCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526469657 RTYLKPLKHPEOAO-HSZRJFAPSA-N 477.469 3.959 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1O 1084480711 OXLBSFVFWRQFHE-SDQBBNPISA-N 484.075 3.723 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Br)cc1 1084598649 WCJBRWDJLKWMME-ZSOIEALJSA-N 450.086 3.878 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)c(Br)c3)cc2)CC1 1154271158 MECWHWMBHRDFCU-UHFFFAOYSA-N 450.764 3.701 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(COc4ccc(C)nc4)c3)cc2)CC1 1154271966 XCEUWCOPLQBEQD-UHFFFAOYSA-N 458.562 3.568 10 10 JHCE CC(=O)N1CCN(C(=O)[C@H](C)SC2=NC(=O)/C(=C\c3csc4ccccc34)S2)CC1 1189442392 NOAARAHSJFNXBK-FHXOWUIVSA-N 459.618 3.684 10 10 JHCE CC(=O)N1CCC[C@@H](Cn2c(CC(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)C1 1690809551 KAEUKFSWULMVHX-HSZRJFAPSA-N 452.647 3.972 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccccc3OC)c3ccccc3)CC2)cc1 1862053245 MKRZSSMRRWEOJA-RUZDIDTESA-N 459.546 3.524 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1864022296 LHUYEFMICHCMEM-GHJWDPDVSA-N 480.487 3.723 10 10 JHCE COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(Cc4ccc(N)cc4)cc3)CC2=O)cc1OC 1865927269 KCHNXFORAVWEGV-JOCHJYFZSA-N 473.573 3.907 10 10 JHCE C[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866855443 KZDDYTJQXLFUIX-OAHLLOKOSA-N 478.508 3.744 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868847664 FEBRUEGXVSAEKB-HSZRJFAPSA-N 455.574 3.818 10 10 JHCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871538831 USXFMXBVAHPCKB-UHFFFAOYSA-N 488.423 3.923 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccccc3)CC2)cc1 1874643534 ZJPFYUUQJFAGBZ-MUUNZHRXSA-N 496.611 3.795 10 10 JHCE C[C@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1c(O)cccc1O 2084900194 VRALSPGTQYSNHQ-HNNXBMFYSA-N 453.580 3.947 10 10 JHCE COc1ccc(CCN2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1OC 2296139063 PNVQLAJOFPYJLS-UHFFFAOYSA-N 491.519 3.955 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC 2296739284 OYAKITMTCANAEA-UHFFFAOYSA-N 475.364 3.996 10 10 JHCE COc1ccccc1C=C1SC(=S)N(CCC(=O)N2CCN(c3ccccc3)CC2)C1=O 2297349717 PGKKDXFGILSFJD-UHFFFAOYSA-N 467.616 3.635 10 10 JHCE COc1ccc(N2C(=O)[C@@H]3[C@@H](C=Cc4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 2313626216 IXJIORVRZSWRLY-SMIHKQSGSA-N 479.488 3.731 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1Cl 11857781 RIOPFWDPAFATDH-UHFFFAOYSA-N 451.913 3.604 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccccc1O)Nc1ccccc1-3 21658944 HVULIEWXVMYMLB-JOCHJYFZSA-N 450.498 3.915 10 10 JHCE Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCSC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 22669746 RINPNYSGOHSEME-HXUWFJFHSA-N 451.470 3.723 10 10 JHCE CCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33457685 OFPDEZDWBTZSGA-JXAWBTAJSA-N 450.589 3.879 10 10 JHCE COCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(F)cc2)SC1=S 40066661 XMOIZNQFQWJPDW-ODLFYWEKSA-N 486.594 3.554 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1C(=O)O 210497168 WDADHQPZMLOZPF-CXUHLZMHSA-N 494.497 3.922 10 10 JHCE COc1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1OC 1858044459 VRBRZSGIBJVQDZ-UHFFFAOYSA-N 475.394 3.967 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1 1862170182 CAZOGZSFQAYRND-HXUWFJFHSA-N 467.610 3.533 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864009476 IEDVWKMTTXCJJZ-NRFANRHFSA-N 454.571 3.936 10 10 JHCE CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCN1C(=O)CSC1=S 1865768034 HJWMHWRGHAZCRJ-UHFFFAOYSA-N 487.603 3.925 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3ccc(N4CCCCC4)cc3c2=O)c2nccn2C)cc1 1866463872 APNRXWLCDNFDNE-VWLOTQADSA-N 484.604 3.837 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(Cl)c4)cn3C[C@@H](C)O)CC2)cc1 1870408856 KPOVRPJTDUYXSD-HXUWFJFHSA-N 498.023 3.792 10 10 JHCE COc1cc([C@@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc(O)c1O 1952887828 MAGRJPSKJLJFHN-IBVKSMDESA-N 461.470 3.945 10 10 JHCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1 2297312329 MFSXOXMBHVUGLT-UHFFFAOYSA-N 492.509 3.614 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)C3CCCCC3)C2=O)ccc1O[C@@H](C)C(=O)O 2314935536 PWXQBSMBPAEAOY-ZDUSSCGKSA-N 478.592 3.750 10 10 JHCE CCC(=CC(=O)N[C@@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329523333 JVPUBPGAWMJVKN-VWLOTQADSA-N 465.594 3.741 10 10 JHCE CC[C@H](NC(=O)C(C)=Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330108673 HNHOZASNKIKBGW-QHCPKHFHSA-N 455.986 3.996 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1cccc(O)c1O)Nc1ccccc1-3 21658947 KGTCYFCPYNGZSY-OAQYLSRUSA-N 466.497 3.621 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(C)ccc3C)c3ccco3)CC2)cc1 38598282 CLCROFHGJXXCKB-HSZRJFAPSA-N 469.607 3.747 10 10 JHCE Cc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)CC2=O)cc1 107980076 TXPVJYJNCIOWLF-GOSISDBHSA-N 461.484 3.520 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1O 210692518 ZYYUEYCYVJPIBX-LDADJPATSA-N 458.561 3.948 10 10 JHCE CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 726527398 OIIARWKFQIBCNI-UHFFFAOYSA-N 451.548 3.601 10 10 JHCE CS(=O)(=O)c1ccc(SCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 749751015 CCRZMIXXTHMARK-UHFFFAOYSA-N 451.525 3.596 10 10 JHCE CN(C(=O)c1cccc2c1OC[C@H](O)[C@@H](O)CCN(Cc1ccccc1O)CCCCC2)C1CCC1 1615121146 MWFYVYFXJANZIG-SVBPBHIXSA-N 496.648 3.736 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4C)n4ccccc34)CC2)cc1 1858224412 VIXMQLXEHSSHQQ-UHFFFAOYSA-N 469.545 3.866 10 10 JHCE O=C(NCCc1ccc(O)c(O)c1)[C@H](Cc1ccc(Cl)cc1)N1Cc2ccccc2C1=O 1860216255 IKSBJZIQBJHCIX-NRFANRHFSA-N 450.922 3.677 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864010199 JVQAGGFNTVDELR-QHCPKHFHSA-N 497.555 3.642 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864014396 UIXPTJKKMMHFMZ-FQEVSTJZSA-N 454.571 3.656 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014686 AEZBJZULQMEWPW-SJKOYZFVSA-N 488.466 3.912 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCCc3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868716952 UYSYWGMUTWYNAW-HHHXNRCGSA-N 497.636 3.525 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871550149 HADLYGGNHLBNMP-UHFFFAOYSA-N 485.592 3.616 10 10 JHCE COc1cc(Br)cc([C@H]2[C@@H](C(=O)O)CCN2C(=O)OCc2ccccc2)c1O 1952971973 MSCBHTBYLQYYOI-WMLDXEAASA-N 450.285 3.948 10 10 JHCE Cc1cc(C=C2C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2297461587 LAJRMSICXGMSIO-UHFFFAOYSA-N 459.527 3.966 10 10 JHCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313546059 ZVUPYPXKGZCHFS-UHFFFAOYSA-N 488.521 3.804 10 10 JHCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1 13643995 KKBJKUMSEJVIND-HWBMXIPRSA-N 452.624 3.515 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2S1 20208301 OTBYCBGRDMWPRU-UHHWSGGGSA-N 488.978 3.930 10 10 JHCE CCNC(=O)c1ccc(-c2nc3cc(NS(=O)(=O)c4cccc5nsnc45)ccc3n2C)cc1 33276965 HLJBOTPLCSZRLC-UHFFFAOYSA-N 492.586 3.796 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(Br)o3)c3ccco3)CC2)cc1 38606495 AKXVOSPDBGCZDC-GOSISDBHSA-N 474.355 3.937 10 10 JHCE COc1ccc(N2CCN(c3ncnc(Nc4ccc(C(=O)OCC(C)C)cc4)c3N)CC2)cc1 40727789 XXXRBJHQDADPHW-UHFFFAOYSA-N 476.581 3.950 10 10 JHCE CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCSc2nccs2)[C@H](C)C1 1706001010 XSCJPKBYYYCODR-BHIYHBOVSA-N 492.715 3.893 10 10 JHCE CCN1CCC[C@H]1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860344801 GVDBHRKNNVPQLC-WTYVLRPYSA-N 485.632 3.779 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864007534 PATSKMIUPZEAML-HSZRJFAPSA-N 486.503 3.742 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864015886 FRJVYWWJPWDDIA-FQEVSTJZSA-N 460.534 3.642 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865027405 XQIMOOXBLLZENZ-OAQYLSRUSA-N 482.968 3.867 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027568 JNXGKIXRKYOSIB-WNSKOXEYSA-N 490.560 3.554 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3ccco3)C2=O)cc1 1873170828 SEHHGUSRJSXPCO-UHFFFAOYSA-N 458.562 3.651 10 10 JHCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Cl)cc(Br)c2O)C[C@H]2COC[C@H]21 1966038522 UZKLNARWAJRCIE-DUVNUKRYSA-N 461.784 3.922 10 10 JHCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3c(-c4ccccc4)nc4sccn34)C(=N)N21 2296215355 GRKYRTJHFOPTPQ-UHFFFAOYSA-N 498.615 3.710 10 10 JHCE COc1cc(C)ccc1OCCn1cccc1C=C1C(=N)N2N=C(N3CCCC3)SC2=NC1=O 2297352757 SVBZDDURGRPZRV-UHFFFAOYSA-N 478.578 3.557 10 10 JHCE CCC1=NN(Cc2ccc(C)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106726 ZHPXDFGPJZFJCS-UHFFFAOYSA-N 463.578 3.906 10 10 JHCE Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 25344282 OANLPGWUPSRSGX-UHFFFAOYSA-N 455.555 3.521 10 10 JHCE CC1=NN(c2cccc(C)c2)C(=O)/C1=C/Nc1cc2c(cc1Br)n(C)c(=O)n2C 101123502 DOVZDGKHWUMSDS-RVDMUPIBSA-N 454.328 3.666 10 10 JHCE O=C(O)CN1C(=O)/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S 1084124411 GHYLAJVFVPSXKY-CHHVJCJISA-N 461.433 3.581 10 10 JHCE Cc1c(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c(=O)n(-c2ccccc2)n1C 1088613796 WPHMQGAEDNUOMH-PDGQHHTCSA-N 451.529 3.588 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCCCCC(=O)O)sc(C)c1-c1ccc(OCC)cc1 1860762998 YSFAZWXPFRTVDR-UHFFFAOYSA-N 490.578 3.999 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011483 IBOKEZDZSAPGOP-QFIPXVFZSA-N 478.524 3.544 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)[nH]c(=Nc4ccccc4C)[nH]3)CC2)cc1 1871481197 BBXXFUUIEMMFIU-UHFFFAOYSA-N 495.631 3.757 10 10 JHCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C3CC3)c(C(N)=O)c2I)cc1C 2079977227 JINFWYKECIEHTN-QGZVFWFLSA-N 451.308 3.786 10 10 JHCE COCCCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136261354 KUBOJOYCJPVHHD-FQEVSTJZSA-N 458.555 3.599 10 10 JHCE CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)[C@H]1CC[C@@H]1OCc1ccccc1 2200971634 OXQBWOCJYBYIDL-JTAQYXEDSA-N 470.566 3.740 10 10 JHCE CN(C)c1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228429 WPGTWGAUNZWVCA-GOSISDBHSA-N 454.939 3.951 10 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CCCCN(C)C(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826285 CYDATXPIGBCDQU-CPNJWEJPSA-N 473.620 3.966 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2cn(C3CC3)c3cc(F)ccc3c2=O)c2nccn2C)cc1 1866266693 JVGFTIWZJLQTHG-HSZRJFAPSA-N 459.525 3.794 10 10 JHCE CCOc1cccc2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866427134 NPKCRHMIVJYQIK-QHCPKHFHSA-N 462.594 3.950 10 10 JHCE CC(C)(NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866612719 GFBCVUIRNQGRRD-UHFFFAOYSA-N 495.535 3.736 10 10 JHCE CC[C@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866640236 QYSAVTVWHKICPE-KRWDZBQOSA-N 469.453 3.857 10 10 JHCE CSCC[C@@H](NC(=O)c1cc(C2CC2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867151797 FFIRLNALRVWMLW-LJQANCHMSA-N 489.553 3.818 10 10 JHCE CCCCOc1cn(CCCOCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870661335 VHXONJANNCJEFN-UHFFFAOYSA-N 457.615 3.785 10 10 JHCE CCCCn1c(C(=O)NCc2cccnc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873580119 GKQIZAFNKOTKFC-UHFFFAOYSA-N 499.619 3.892 10 10 JHCE O=C(N[C@@H](CC1(c2cc(O)nc(O)c2)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1952641945 YUYRNFVZFQPZFF-NRFANRHFSA-N 460.486 3.906 10 10 JHCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(N2CCCCC2)o1 2294253352 DXWDBHPDAXXHDW-UHFFFAOYSA-N 460.353 3.864 10 10 JHCE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2297349446 SWUXJZNEHGSMTR-UHFFFAOYSA-N 451.464 3.821 10 10 JHCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)NC[C@@H](c3ccco3)N(C)C)C2=O)cc1 2314625260 UKLPOFVRNHJRQI-SFHVURJKSA-N 457.621 3.989 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)CC3CCN(C(=O)c4ccc(C)cc4)CC3)CC2)cc1 32974202 WTHKCEDBKQNHAP-UHFFFAOYSA-N 492.664 3.574 10 10 JHCE COc1ccc(N2CCN(C(=O)CCCc3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)cc1 32995132 OUTSNHGBULSGOW-UHFFFAOYSA-N 479.606 3.779 10 10 JHCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 34849307 GBQLRPUUVDUXRS-XDHOZWIPSA-N 497.544 3.645 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)Nc3ccc4c(c3)OCO4)c3ccco3)CC2)cc1 38620033 FPQHEISZEUSHJV-OAQYLSRUSA-N 464.522 3.702 10 10 JHCE CCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 40562672 IRBXMBHODHEISN-AQTBWJFISA-N 454.621 3.856 10 10 JHCE CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCSc2nccs2)CC1 1508267036 PWLDDPPBLZTFBY-QZTJIDSGSA-N 478.688 3.504 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)cc(-c5ccc(F)cc5)n4)CC3)CC2)cc1 1858554129 LUUXEFXSNVZXEY-UHFFFAOYSA-N 491.567 3.562 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864017826 WDAVJAPDKDZVTA-NRFANRHFSA-N 492.576 3.991 10 10 JHCE COCCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420410 LQKWOJPVXHIAMN-UHFFFAOYSA-N 475.545 3.950 10 10 JHCE Cc1ccc(N2C(=O)C(=C3C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)c(C)c1 2313621396 JOCPGXUFMBQAKT-UHFFFAOYSA-N 478.643 3.631 10 10 JHCE CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2314414072 OUPZEHNMLJCJSU-UHFFFAOYSA-N 466.588 3.845 10 10 JHCE O=C(O)CNC(=O)CCN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314829007 YIXFRCCEDRRFLJ-UHFFFAOYSA-N 450.541 3.785 10 10 JHCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CCCc3ccccc3)c3ccccc32)SC1=S 2326944900 CWNUDZXNMSSOJZ-UHFFFAOYSA-N 452.557 3.712 10 10 JHCE CN(C)c1ccc(/C=C/CN2CCc3c(c(C(=O)NCc4nccs4)nn3CC3CC3)C2)cc1 14542890 PGOOQNNUEZICQD-ONEGZZNKSA-N 476.650 3.817 10 10 JHCE CCOc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)c(OCC)c3)C2=O)c1 33430524 TZCZYEMKILXHCU-BGARDKSCSA-N 468.462 3.843 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 102463981 IGBXGWUMLBGSFE-NSNCLKJASA-N 493.545 3.816 10 10 JHCE O=C(/C=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCc1ccc(-c2nc3ncccc3o2)cc1 207344135 KUMNUUDTFXTHJV-POHAHGRESA-N 485.500 3.964 10 10 JHCE CN(C)CCCNC(=O)Nc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586613203 FZHUZGNNSRXLER-UHFFFAOYSA-N 470.529 3.788 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(NC(=O)OC(C)(C)C)c(OC)c3)CC2)cc1 743298666 CMAPFHCXOJMDHH-UHFFFAOYSA-N 499.612 3.995 10 10 JHCE COC(=O)c1sc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1C 823476958 FKNFSJNKBDPJIU-UHFFFAOYSA-N 450.428 3.779 10 10 JHCE Cc1cc(C)cc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(O)cc2=O)c1 1859616593 SGTVIAGKJQFGGO-UHFFFAOYSA-N 465.465 3.583 10 10 JHCE COc1ccc(C(=O)N2CCN(Cc3cccc(C(=O)Nc4cccc(N(C)C)c4)c3)CC2)cc1 1860879875 CIGYUCWJRRTICD-UHFFFAOYSA-N 472.589 3.972 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864007262 JBCHZVGEUNIURX-HSZRJFAPSA-N 490.560 3.744 10 10 JHCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@@H]2c1ccc(O)c(O)c1 1864015057 ISDATDPNLCYVMV-OAHLLOKOSA-N 494.857 3.515 10 10 JHCE COc1cc(Cl)c(OC)c2c(=O)c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c12 1866441112 KQTIMCIEHKOZOT-FQEVSTJZSA-N 495.967 3.518 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C(C)C)cc4)cn3CCO)CC2)cc1 1870473355 PEANNELFPDDCMA-UHFFFAOYSA-N 491.632 3.874 10 10 JHCE COCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870621565 RSIAWDQMBLPXSJ-UHFFFAOYSA-N 481.568 3.544 10 10 JHCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2C(C)C)[nH]1 1871495723 ZOFYWEKPXNCTLZ-UHFFFAOYSA-N 461.614 3.740 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc(OC)c(Cl)c4)[nH]3)CC2)cc1 1871676979 ICZWEMBAMWQBHG-UHFFFAOYSA-N 498.031 3.524 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NCc3ccco3)nc12 2053496847 NFOSUFCASINEFJ-INIZCTEOSA-N 482.587 3.588 10 10 JHCE O=C1C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2053498403 YSFTVTLHZHBFBM-INIZCTEOSA-N 470.620 3.819 10 10 JHCE COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)c(OC)cc1Cl 2297336630 ACXCPKBDVDITCO-UHFFFAOYSA-N 474.897 3.819 10 10 JHCE Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 2297508894 WNPKGIKNZHUNFG-UHFFFAOYSA-N 491.613 3.940 10 10 JHCE C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O)C(=O)O 2314930584 GIUFRVJWFWAQID-NSHDSACASA-N 462.936 3.738 10 10 JHCE O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c1 14472281 OAWOGTXRYQBUQW-GXJJEBCYSA-N 455.536 3.879 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)cc1O)Nc1ccccc1-3 21658953 ZVFBOXKMYSIXPP-QFIPXVFZSA-N 466.497 3.621 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CC(=O)OCC(C)C)C2=O)cc(Br)c1O 40885180 FKHPGEQNVKHVSJ-MLPAPPSSSA-N 460.371 3.564 10 10 JHCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)cc1 65314167 DVOGUDZOTSZRBY-XMMPIXPASA-N 473.621 3.671 10 10 JHCE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)cc1 248261358 WGQWYJITAQSODV-FUSMBFRDSA-N 455.599 3.590 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)cc2)CC1 1634074076 IQIYDLYARHFIJX-HNNXBMFYSA-N 450.366 3.746 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)CN(C)C)[C@@H](C)C1 1760606790 LHVWLDKWGADSGQ-NRFANRHFSA-N 491.684 3.997 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4cccn4C)c4ccccc34)[C@H]21 1860345030 OJAVSQCACFAIJQ-MHZLTWQESA-N 467.573 3.833 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@H](C)CC)sc(C)c1-c1ccc(OCC)cc1 1860762624 LVYAJSDMBOYEGR-BFUOFWGJSA-N 490.578 3.853 10 10 JHCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865025521 ASBYZRNNQVJWPD-QFIPXVFZSA-N 462.550 3.935 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3ccccc3Cl)CC2)cc1 1870356350 NSIGOEPDQYWTLX-UHFFFAOYSA-N 498.023 3.642 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCCCCCO)nc(Nc4ccc(C)cc4)[nH]3)CC2)cc1 1871476822 HAYIYFBYBJFQGY-UHFFFAOYSA-N 491.640 3.645 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3cccnc3)n4CC(C)C)CC2)cc1 1873577236 YIISHAJSUPNQBC-UHFFFAOYSA-N 499.619 3.748 10 10 JHCE CCc1nn([C@H](c2ccc(OC)cc2O)C(C)C)c(I)c1C(=O)OC 2079980467 DVYRQMQUIIXBRS-INIZCTEOSA-N 458.296 3.796 10 10 JHCE COC(=O)[C@H](C)N1C(=O)SC(=Cc2cc(Br)c(O)c(Br)c2)C1=O 2293983726 TXKDUIWZHDVJMV-LURJTMIESA-N 465.119 3.515 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2C)cc1 2294253415 OKCPVUIKMDOLPV-UHFFFAOYSA-N 489.553 3.721 10 10 JHCE CCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1 2296753946 FSVXECFSLNZEQP-UHFFFAOYSA-N 499.530 3.782 10 10 JHCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)N1CCCc2ccccc21 2297559556 LECPZFHCGIJCTP-UHFFFAOYSA-N 454.573 3.884 10 10 JHCE Cc1ccc(N2C(=O)C(=C3C(=O)N(CN4CCOCC4)c4ccccc43)SC2=S)c(C)c1 2313617608 CFYXTFJROFYGGO-UHFFFAOYSA-N 465.600 3.716 10 10 JHCE CN(C)[C@@H](CNC(=O)CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)c1ccco1 2314625140 DTYNWBVMBBYOIV-KRWDZBQOSA-N 461.584 3.819 10 10 JHCE COc1cc(C=C2SC(=S)N(CCN3CCOCC3)C2=O)ccc1OCc1ccccc1 2323744143 BGMSFVGOAFQJMN-UHFFFAOYSA-N 470.616 3.808 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=N)N21 20206495 GNGKHECZGJKILB-MKGVMWAWSA-N 460.562 3.751 10 10 JHCE CCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 33305392 DCODDIUUXYPAEB-OBGWFSINSA-N 450.589 3.960 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)/C=C\c2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 33560635 ZQLZVGHQVGQUMS-IJFZUYQYSA-N 456.608 3.771 10 10 JHCE COc1ccc(C(=O)[C@H]2C3(C(=O)c4ccccc4C3=O)N3CCC[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 34687392 JQYCMTTZYLBTFV-ZLZBJJAKSA-N 492.531 3.680 10 10 JHCE biogenic Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NCc1ccc(N2CCNC(=O)C2)cc1 106188342 GHGMKDKQNIYTMB-UHFFFAOYSA-N 479.378 3.686 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1 210698693 PIXIFLKHWXHDNB-QGOAFFKASA-N 456.545 3.799 10 10 JHCE CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)C1 1359392657 YNAVSPJPBZORHO-NRFANRHFSA-N 452.647 3.818 10 10 JHCE CCOC(=O)C(/N=N/c1ccc(S(=O)(=O)N[C@H]2N=CCC(C)=N2)cc1)=C(/O)c1ccccc1 1616046015 MFUFTRAEVVGODW-GEPNXEGHSA-N 469.523 3.758 10 10 JHCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1857997075 ZZUVQAFAWDQTQV-UHFFFAOYSA-N 486.525 3.812 10 10 JHCE CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)c(C)s2)cc1 1859573718 ZJTNPRYOYZNYNE-UHFFFAOYSA-N 456.549 3.762 10 10 JHCE CCCC[C@H](NC(=O)CCc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861938683 RQETUXRGTXBBMA-VWLOTQADSA-N 467.610 3.660 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc4ccccc4n3C)CC2)cc1 1862076136 VLBHKSVNHKMZNH-SANMLTNESA-N 496.611 3.877 10 10 JHCE CCCC[C@@H](NC(=O)CCCOc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862224519 VIDYOSGVOBXBNH-RUZDIDTESA-N 467.610 3.878 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864011690 JYXWPFBCHJMECI-HSZRJFAPSA-N 476.577 3.879 10 10 JHCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864016590 SZRIABNVDRJMOH-JOCHJYFZSA-N 498.539 3.518 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033604 DPIWKXRDJBXEIN-PBFPGSCMSA-N 494.514 3.922 10 10 JHCE CC[C@](C)(NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866707337 LLLXKHWJHYKQRO-OUTSHDOLSA-N 483.568 3.988 10 10 JHCE C[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867801420 ABHPBKROEHHRSV-IERDGZPVSA-N 476.543 3.632 10 10 JHCE CC[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852682 PSCXFLPMLAFYDK-BJKOFHAPSA-N 454.590 3.744 10 10 JHCE Cc1ccc2nc(N3CCSCC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2040498406 JKNYQVUDXJFPDE-UHFFFAOYSA-N 472.661 3.700 10 10 JHCE O=C(CN1C(=O)SC(=Cc2ccc(N3CCCC3)cc2)C1=O)N1CCN(c2ccccc2)CC1 2294013785 AVLYZHRXEMCGMH-UHFFFAOYSA-N 476.602 3.672 10 10 JHCE CCOC(=O)c1ccc(N2C(=N)SC(=Cc3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 2295178614 DPMURDQHXBKNCK-UHFFFAOYSA-N 495.561 3.579 10 10 JHCE CCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12 2296114000 IECPWMDLJMMQCC-UHFFFAOYSA-N 480.977 3.721 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 2296885302 NURWZFKBXVAOQE-UHFFFAOYSA-N 460.508 3.850 10 10 JHCE CCOc1ccccc1CN1CCc2nc(N3CCN(c4ccc(OC)cc4)CC3)ncc2C1 15779458 YJVQTLFUZPJRIP-UHFFFAOYSA-N 459.594 3.769 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)C4=C(C)OCCS4)c3)CC2)cc1 15941603 LIFXGCGBLLMEEL-UHFFFAOYSA-N 467.591 3.899 10 10 JHCE COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 20356293 JQIIYEJJZQEDSF-INYGCOGDSA-N 491.573 3.825 10 10 JHCE CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1 111427734 OGCAWZSRTUQJLS-MOSHPQCFSA-N 485.363 3.693 10 10 JHCE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 210705765 ALVZWLJSEYSWDU-HMMYKYKNSA-N 484.599 3.838 10 10 JHCE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NCc1cc(Cl)cc(Br)c1O 708110773 HDLDQRXBZDPIQF-GUSZCTEKSA-N 461.784 3.968 10 10 JHCE Cc1ncc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)[nH]1 727353831 XZAXHPAIVBWVPH-UHFFFAOYSA-N 461.352 3.627 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(O)c4cc(C(C)C)ccc4n3)CC2)cc1 1858510391 ORVPGLRRJQYZRR-UHFFFAOYSA-N 452.580 3.908 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865025872 FGTVCOQIOPBUMO-DEOSSOPVSA-N 496.523 3.712 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1C 1865652033 OGMFGNHVMVNOBR-XMMPIXPASA-N 487.604 3.572 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@@H]2CCC(=O)N2)sc(C)c1-c1ccc(Br)cc1 1866196951 UGQWRTXMCMLJGH-ZDUSSCGKSA-N 451.342 3.880 10 10 JHCE COc1cc(Cl)c(C)c2c(=O)cc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)[nH]c12 1866556744 YPLVTCNRFUQSPF-QFIPXVFZSA-N 479.968 3.817 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCC(=O)c3ccc(C)cc3C)CC2)cc1 1868932633 UKZIMXNZFBAERK-UHFFFAOYSA-N 465.594 3.519 10 10 JHCE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873165391 MPAIVOKZPWBADG-UHFFFAOYSA-N 486.616 3.924 10 10 JHCE CCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873550814 OBRKSNFRXKBXDZ-UHFFFAOYSA-N 464.614 3.905 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCCCN4CCCC4)c4ccccc34)[C@H]21 1873905285 PRFIMHYVXAOYKL-NDEPHWFRSA-N 485.632 3.780 10 10 JHCE O=C1C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2053512941 DCZHYLAWJRAVER-QGZVFWFLSA-N 478.599 3.687 10 10 JHCE CO[C@H]1Oc2c3c(c(CC=C(C)C)c(O)c2C(=O)[C@@]1(O)c1ccc(O)c(O)c1)OC(C)(C)C=C3 2112807298 TUJXJNLMVAEOTM-AHWVRZQESA-N 468.502 3.932 10 10 JHCE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC 2294229377 OFVDNHIFQOPSDX-UHFFFAOYSA-N 461.337 3.606 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccs1 2294593385 WBKAHUJAORHSMD-UHFFFAOYSA-N 462.483 3.638 10 10 JHCE CN(C)c1ccc(CNC(=O)c2ccc(CN3C(=O)[C@@H]4CCCN4C(=O)c4ccccc43)cc2)cc1 35459288 IRWUVYRQMHTRKM-SANMLTNESA-N 482.584 3.834 10 10 JHCE CN1CCN(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)CC1 35518979 QOORMHYKKVEJQZ-BOPFTXTBSA-N 464.956 3.872 10 10 JHCE COc1cccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 96458917 CVHVRVIENVRQQN-BUHFOSPRSA-N 454.482 3.581 10 10 JHCE Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 253567793 KLOOYHHFOBRSHL-BHDDXSALSA-N 455.441 3.829 10 10 JHCE CSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858961193 MBYOSGWRACWYMM-UHFFFAOYSA-N 485.587 3.539 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010273 RACYYCGXBYKEKR-QHCPKHFHSA-N 487.560 3.688 10 10 JHCE Cc1ccc(C(=O)CCC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 1868154926 IVEKERLYVRCYEH-UHFFFAOYSA-N 468.509 3.797 10 10 JHCE CCN(CC)c1ccc(C=C2C(=O)NN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 2297577923 KUQRFRPHGQHUSG-UHFFFAOYSA-N 459.300 3.665 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1 2314837882 XYFOZFOUHICQAC-CYBMUJFWSA-N 456.545 3.797 10 10 JHCE Cc1ccc(NC(=O)COc2ccccc2C=C2SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 2314842233 JJZXOOWURNXYMJ-CQSZACIVSA-N 456.545 3.687 10 10 JHCE CC[C@@H](NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330129074 HPLOIFDWHABXCO-HSZRJFAPSA-N 455.986 3.996 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cccc21 14019029 ALZBRNNHSUTYGS-QGZVFWFLSA-N 474.538 3.501 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)NCc3ccc(F)cc3)c3ccco3)CC2)cc1 38619997 GCZVAVQFOPQXEQ-HSZRJFAPSA-N 452.530 3.790 10 10 JHCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990071 FJLUUZQDDACZQO-SMEDBKPVSA-N 488.679 3.912 10 10 JHCE CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 107982461 ZUBUPIQAIJMSDE-OAQYLSRUSA-N 463.500 3.613 10 10 JHCE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@H]2c2ccc(N(C)C)cc2)cc1 526139738 RJUSBOSIBVDFOP-JOCHJYFZSA-N 497.598 3.696 10 10 JHCE C=CC(=O)Nc1cccc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 1444499040 DZEFCYKHJKZQBR-OAQYLSRUSA-N 452.555 3.873 10 10 JHCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)CC1 1662777698 UOOFNMAGASHXKE-UHFFFAOYSA-N 455.624 3.881 10 10 JHCE CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862216450 NQKLFSHGPBVQHR-NLFFAJNJSA-N 467.610 3.830 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864022438 WQJGYEPLZPRCPB-HSZRJFAPSA-N 490.604 3.875 10 10 JHCE COCCCN1C(=O)c2ccc(C(=O)Nc3c(Cl)cc(Cl)cc3C(=O)O)cc2C1=O 1865887266 FEZOEHGPEQNJLD-UHFFFAOYSA-N 451.262 3.576 10 10 JHCE CC[C@@H](NC(=O)c1ccccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867914357 FBOAUPMOFKVDKC-RPWUZVMVSA-N 466.626 3.613 10 10 JHCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccc2c(c1)CCC2 2040497008 ZMQDTOMTQYCGIO-UHFFFAOYSA-N 452.557 3.535 10 10 JHCE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2294695710 WYNYCANLYOXRED-UHFFFAOYSA-N 480.868 3.630 10 10 JHCE COc1ccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC 2296657807 WRPRSCOKEICXFY-UHFFFAOYSA-N 467.572 3.907 10 10 JHCE COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)c(OC)cc1Cl 2297332879 CDBGPNRNYUJOIY-UHFFFAOYSA-N 495.713 3.795 10 10 JHCE Cc1nc2scc(C)n2c1C=C1SC(=S)N(c2ccc3c(c2)OCC(=O)N3C)C1=O 2321736734 USLGKMHOFIJVOF-UHFFFAOYSA-N 456.574 3.774 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC 21548968 ATBVPMOOXYXPOM-LCYFTJDESA-N 460.371 3.922 10 10 JHCE COc1ccc(-n2c(C)cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)c2C)cc1 27076887 MOWNYOUBIHNAPX-UHFFFAOYSA-N 489.544 3.528 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)c3ccco3)CC2)cc1 38598173 RDKZLJQJMPNOPL-QHCPKHFHSA-N 464.522 3.798 10 10 JHCE O=C(CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(C(=O)O)cc1 47152229 FRAFTTHABKQDLA-ATVHPVEESA-N 471.516 3.913 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 110579850 BNUZBSSZUXAWSC-AFESJLNVSA-N 461.606 3.955 10 10 JHCE CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(N(CCC)CCC)cc3)N2N1 588226016 FGDCIHWYYHNQKP-XMMPIXPASA-N 463.651 3.989 10 10 JHCE Cc1cc(CCNC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)c(C)n1-c1ccccc1 726525372 NGZGXLHZPYKSGM-UHFFFAOYSA-N 471.536 3.926 10 10 JHCE CC(=O)[C@@H]1CC(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)=NN1c1ccccc1 1126657650 LAHUZVDBPZKGNH-VGSWGCGISA-N 456.493 3.597 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)CC)sc(C)c1-c1ccc(OCC)cc1 1860762627 LVYAJSDMBOYEGR-YJYMSZOUSA-N 490.578 3.853 10 10 JHCE CCCC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861960339 LRLXAIKFZIDIBQ-QHCPKHFHSA-N 458.002 3.915 10 10 JHCE CCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1cc(OC)ccc1OC 1862352058 VAXIYHCIEFYVJK-UHFFFAOYSA-N 450.539 3.558 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864014020 LPAAZYHJWXSWGP-FQEVSTJZSA-N 456.587 3.904 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864019868 QZOCSIJAPUCMLI-JOCHJYFZSA-N 476.577 3.824 10 10 JHCE CC[C@H](NC(=O)c1ccccc1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867900735 CPQLURLARXWSIV-DQEYMECFSA-N 450.627 3.913 10 10 JHCE CC[C@@](C)(NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868585684 SGOZPKJPGICHSN-HHHXNRCGSA-N 462.594 3.743 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1868849179 RDSWNZQQWXJNFV-QHCPKHFHSA-N 488.426 3.662 10 10 JHCE CC(C)OC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870909304 BNCSPRXOKPMNNW-IBGZPJMESA-N 465.550 3.915 10 10 JHCE COc1cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C(=O)O)cc(O)c1O 1952887829 MAGRJPSKJLJFHN-RXFWQSSRSA-N 461.470 3.945 10 10 JHCE CC(=O)N(c1nc(C=C2SC(=S)N(CCC(=O)O)C2=O)cs1)c1ccccc1F 2040446420 GTYPGLFOBBHPBE-UHFFFAOYSA-N 451.526 3.643 10 10 JHCE CCc1nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c(I)c1C(=O)OC 2079984490 GWDSOZZADNTGCT-MRXNPFEDSA-N 470.307 3.940 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)CCc2ccc(N)cc2)CCN(C(=O)OC(C)(C)C)CC1 2236201218 KJNIFYKKKCBANX-UHFFFAOYSA-N 476.618 3.518 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OC(C)C 2314769540 RSSUXUUKGLPNCN-UHFFFAOYSA-N 460.371 3.921 10 10 JHCE CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCCCC3)ccc21 9138270 OTJTZYQMWYZCKA-RUZDIDTESA-N 452.643 3.719 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1Cl 11857789 VVMLMMSBOLSMFF-SNVBAGLBSA-N 465.940 3.992 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)N(CCO)Cc1ccccc1 16922576 HLTSMEHDDYYUQM-PDGQHHTCSA-N 478.542 3.510 10 10 JHCE CN1CCN(N2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)SC2=S)CC1 35519362 TXBQPWYCMDISQF-LTGZKZEYSA-N 461.616 3.903 10 10 JHCE CCOCCCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 40562666 UYFYDAWYRMAKQT-HKWRFOASSA-N 484.647 3.564 10 10 JHCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1Cc1ccccc1 96460795 QIRIYZGFGMDTJK-VQQXQELJSA-N 483.619 3.801 10 10 JHCE CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccc(C)c(Cl)c2)C1=O 103365446 YOQXRNNEYOWSFS-CXUHLZMHSA-N 493.741 3.814 10 10 JHCE O=C(NN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1ccccc1 206887523 KIRRGTGVLXIEPO-HKWRFOASSA-N 481.599 3.624 10 10 JHCE O=C1/C(=C/c2ccc(-c3ccccc3Br)o2)SC(=S)N1CCS(=O)(=O)O 334162739 QQDOBKMTVGDMOI-ZROIWOOFSA-N 474.379 3.798 10 10 JHCE CSc1ncc(Br)c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1859498586 HGLHPSPRGREWSU-UHFFFAOYSA-N 454.305 3.989 10 10 JHCE CC1(C)CCc2c(cc(OCC(=O)NCCc3ccc(O)c(O)c3)c3c4c(c(=O)oc23)CCC4)O1 1860283342 XCTMVOSTACWACI-UHFFFAOYSA-N 479.529 3.534 10 10 JHCE CCOC(=O)c1c(NC(=O)C2CCN(C(=O)COC)CC2)sc(C)c1-c1ccc(F)cc1 1860630195 ZVKMNTRCLIOKBE-UHFFFAOYSA-N 462.543 3.863 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)sc(C)c1-c1ccc(C)cc1 1860750866 XCPHOAJEQARSEQ-UHFFFAOYSA-N 494.573 3.627 10 10 JHCE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)Nc1nccs1 1870938119 KKDAAIAOWMZMSJ-UHFFFAOYSA-N 491.573 3.670 10 10 JHCE CCCCOCCCN1C(=O)C(NCCc2cnc[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169105 ZGIHRWLJIBPCNL-UHFFFAOYSA-N 489.620 3.936 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2293128384 UHNWRPFMPHSHRF-UHFFFAOYSA-N 484.559 3.800 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NC1CC(C)(C)NC(C)(C)C1 2294317215 YEDRRLIUZAOMIK-UHFFFAOYSA-N 469.611 3.735 10 10 JHCE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)c1 2296545962 DDHZDXVVUIAFRN-UHFFFAOYSA-N 451.529 3.834 10 10 JHCE COc1cc(C=C2C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1O 2297100604 RHCIVYCCIKGWQS-UHFFFAOYSA-N 458.095 3.932 10 10 JHCE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 2313560588 YSZZVPXGZOUMCJ-UHFFFAOYSA-N 457.486 3.889 10 10 JHCE C[C@@H]1CN(C(=O)COc2ccc(C=C3SC(=S)N(Cc4ccco4)C3=O)cc2)C[C@@H](C)O1 2314488691 MLFYUQWYQDQGLN-HZPDHXFCSA-N 472.588 3.696 10 10 JHCE Cc1ccc(CN(C)C2(C(=O)O)CC(NC(=O)OCc3ccccc3)C2)c(O)c1Br 2381129302 IGMOQXFOFZOKHY-UHFFFAOYSA-N 477.355 3.807 10 10 JHCE CN(C)c1ccc(CNC(=O)CCCN2C(=O)CCn3nc(-c4cn(C)c5ccccc45)cc32)cc1 8609347 SBNQCCUYULLXAI-UHFFFAOYSA-N 484.604 3.941 10 10 JHCE N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356436 GFXJGNJQEQTPIY-ISFDWQSPSA-N 450.480 3.917 10 10 JHCE COc1ccc(-c2csc(N3N=C(C)[C@@H](N=Nc4ccc(S(=O)(=O)O)cc4)C3=O)n2)cc1 575733422 XIRKDQJUSOVWBL-GOSISDBHSA-N 471.520 3.940 10 10 JHCE CN(C)CCCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586693537 SVQGLIGIGVTAMP-UHFFFAOYSA-N 470.529 3.788 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)NC4CCCC4)cc3C)CC2)cc1 743313050 ABMZIKHHPCYADM-UHFFFAOYSA-N 479.625 3.620 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3cc(Cl)ccc3Cl)CC2)cc1 1862258368 BSOGQXBJHHNPCC-FQEVSTJZSA-N 480.417 3.866 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018093 CICHJLRVGHHQGQ-OAQYLSRUSA-N 480.540 3.511 10 10 JHCE COc1cc(OC)c2[nH]cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866464069 RQIJWNKUPCXQHX-HSZRJFAPSA-N 478.593 3.568 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](C)Cc3ccc(F)cc3)C(C)C)CC2)cc1 1868768256 WPJUECPHLWPPDV-YADARESESA-N 455.574 3.503 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(F)cccc6[C@@H]5C4)nc(C)n3)CC2)cc1 1869299546 DNOZXRFAYBQUFB-SANMLTNESA-N 488.611 3.679 10 10 JHCE COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2C)cc1 1874187762 ZLZYJGLLPXHNHZ-UHFFFAOYSA-N 477.546 3.946 10 10 JHCE CCOc1cc(C=C2N=C(c3ccc(-n4c(C)ccc4C)cc3)OC2=O)ccc1OCC(N)=O 2040444123 DLQJVVOUOKJJHK-UHFFFAOYSA-N 459.502 3.701 10 10 JHCE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079845327 RMLGCYAUEIKSMG-LBPRGKRZSA-N 483.228 3.565 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 2296881651 UMFKLHAQMQZBHX-UHFFFAOYSA-N 470.616 3.698 10 10 JHCE CCOC(=O)c1ccc(N2C(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 2314732238 NIHKYMFNRPPXEM-UHFFFAOYSA-N 460.489 3.892 10 10 JHCE Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)cc1Cl 20208094 DVEAYORSTIPAOA-OCPFPYFVSA-N 475.983 3.677 10 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JHCE CSCC[C@H](NC(=O)Cc1ccc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867256412 CGRDGKRWAAHTOJ-NRFANRHFSA-N 476.554 3.783 10 10 JHCE CCCC[C@H](NC(=O)CCNc1ccccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868798935 VPCNJJJPQVLAEX-DEOSSOPVSA-N 482.625 3.530 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCOC[C@H]4C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869317000 XUCIXVYUKLKBTR-HXUWFJFHSA-N 475.593 3.713 10 10 JHCE COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)C1=Cc1cc(C)n(-c2ccccc2C(=O)OC)c1C 2294037491 LAKUDNKBKFWZTQ-HXUWFJFHSA-N 478.545 3.732 10 10 JHCE CCN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 2296711192 AAPCTTHFXHZRDU-NSHDSACASA-N 453.383 3.566 10 10 JHCE CCOC(=O)c1c(NC=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)sc2c1CCCC2 2297458334 RQSWPHQVVDXLRY-UHFFFAOYSA-N 473.551 3.686 10 10 JHCE O=C(NN1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1ccc(Br)cc1 2314764599 HJSVFQSNAYSFEY-UHFFFAOYSA-N 480.321 3.609 10 10 JHCE CC[C@@H](Oc1cccc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c1)C(=O)O 2314926833 TXUPYWAABFFTBW-ZWKOTPCHSA-N 471.556 3.826 10 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CCCC[C@H](NC(=O)CCc1ccc(C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861942412 LXGIYTOTPLJOAD-VWLOTQADSA-N 451.611 3.960 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOC(C)C)[C@H]2c1ccc(O)c(O)c1 1864016836 YKXYGUYTJKUWQW-NRFANRHFSA-N 492.576 3.607 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030969 WAONLLMDWZRPSD-HXUWFJFHSA-N 454.571 3.610 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865035223 OLEDINTZODWKFJ-QFIPXVFZSA-N 489.576 3.727 10 10 JHCE Cc1cc(C(=O)N[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)n[nH]1 1866828694 KOCXMVREECWMFT-QHCPKHFHSA-N 464.481 3.603 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCc3ccc(C)cc3)cc1C2=O 1873894950 ATMULIMRKRWZHT-UHFFFAOYSA-N 485.492 3.594 10 10 JHCE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N([C@@H](C)CC)C1=O 2040498726 NXMWDIAMHSUDBC-HNNXBMFYSA-N 460.625 3.841 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831225 GEQWVSXBVMVRQD-UHFFFAOYSA-N 459.505 3.626 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3c(C)cccn3c2=O)SC1=S 2405820 MALPLEUEVQGSJP-QGOAFFKASA-N 483.571 3.651 10 10 JHCE O=C(Nc1cccc(N2CCC(NC[C@@H]3CCS(=O)(=O)C3)CC2)c1)c1cccc(C(F)(F)F)c1 11785986 JTWYYRDISHUUIT-KRWDZBQOSA-N 495.567 3.951 10 10 JHCE COc1ccc(N2CCN(C3=C(C(=O)Nc4ccc(C)cc4)S(=O)(=O)c4ccccc43)CC2)cc1 15019219 DAVCLJOGZKQYRD-UHFFFAOYSA-N 489.597 3.920 10 10 JHCE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc3c(c2)OCO3)SC1=S 40066624 FSDPETTYHBUWHW-HHGUGQKFSA-N 496.614 3.906 10 10 JHCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H](C)CN1CCOCC1 1705606026 VUENNESGAKXASF-OAQYLSRUSA-N 460.626 3.780 10 10 JHCE CC(C)COC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826262 CTGMHFVFQJROCQ-VCHYOVAHSA-N 460.577 3.907 10 10 JHCE CCC[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865837143 LUGLIODSDTUIDN-FQEVSTJZSA-N 482.492 3.874 10 10 JHCE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C(=O)OCC)CCC4)CC2=O)cc1 1865925995 WTZBMJNAYVDAOI-OAHLLOKOSA-N 470.547 3.582 10 10 JHCE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)Cc1ccc(N)cc1 1865957133 YZZIFBIYXPEVOU-UHFFFAOYSA-N 457.328 3.883 10 10 JHCE Cc1oc(-c2ccc(F)cc2)nc1CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868132210 LCPZYSGEMRTGEX-UHFFFAOYSA-N 497.482 3.862 10 10 JHCE COCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420098 GGHOKYJSNXKGFL-UHFFFAOYSA-N 459.502 3.661 10 10 JHCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccc(F)cc1Cl 2040495412 HCSQZYQFXGJVGS-UHFFFAOYSA-N 464.927 3.839 10 10 JHCE COc1ccc([C@H](C2CCC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2080053938 MGJCERJGZRWWHJ-INIZCTEOSA-N 483.350 3.988 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C(=O)NC2=S)cc1 2294253337 BXCNKCATQZAMPJ-UHFFFAOYSA-N 489.553 3.941 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=O)N=C2S1 2297346353 XZIZQDBJJVZUAQ-UHFFFAOYSA-N 492.941 3.679 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC 2313549458 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CCN(CC)c1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 54454466 WMJYNYYEIVDKKY-LJQANCHMSA-N 479.986 3.924 10 10 JHCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1ccccc1F 96460786 OIAOIJNCRZWQCR-QEEMYTIHSA-N 487.582 3.881 10 10 JHCE Cc1nn(-c2cccc(Cl)c2)c(O)c1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 101123830 XSWYVESWVAWPNN-YVLHZVERSA-N 457.273 3.860 10 10 JHCE Cc1cc(C(=O)NCc2cccnc2-n2cncn2)c(C)n1-c1ccc(Br)cc1 108602033 WWJTVTICDRHNMM-UHFFFAOYSA-N 451.328 3.762 10 10 JHCE O=C(O)CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccs1 586214930 SFBOMEIBKPUNFU-UHFFFAOYSA-N 455.513 3.584 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1861925802 PDPFFGGOOHYNNK-NRFANRHFSA-N 462.377 3.955 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015196 LXNUPBZVTQRPNF-KRWDZBQOSA-N 488.466 3.582 10 10 JHCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865033351 XVIZKVDAWOWTJA-OAQYLSRUSA-N 462.550 3.526 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C(=O)OC)C2)sc2c1CC[C@@H](C)C2 1865924343 RHFJSLICMXCMOO-HUUCEWRRSA-N 484.574 3.828 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(F)c(F)c(F)c3[nH]2)N2CCCCC2)cc1 1866514918 FAASVRLNLVBQQX-HXUWFJFHSA-N 472.511 3.968 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3cc(N4CCCCC4)ccc3[nH]2)c2nccn2C)cc1 1866551925 XJAMIQZGTFRYOJ-SANMLTNESA-N 484.604 3.837 10 10 JHCE COc1ccccc1C(=O)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1C 1871333330 QGVLEXHMGWFCOH-UHFFFAOYSA-N 480.480 3.709 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4C)o3)C(=O)NC2=S)cc1 2294244468 MXMMJWMYQVHJHA-UHFFFAOYSA-N 462.483 3.793 10 10 JHCE N=C1C(=Cc2ccc3c(c2)OCO3)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 2297365293 PEKNYHFGWDHPAH-UHFFFAOYSA-N 452.517 3.804 10 10 JHCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCSc1ccc(C)cc1 2313681999 SIWGRFRWJYZBHG-UHFFFAOYSA-N 453.564 3.925 10 10 JHCE COc1cc(OC)cc(C(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c1 62694120 HYYIHJYBDOGTJM-UHFFFAOYSA-N 461.562 3.752 10 10 JHCE CCCn1c(/C(Cl)=C\c2cnn3ccccc23)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 729644142 PTOISCLSELGQIK-XMHGGMMESA-N 485.997 3.852 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccc4nc(C(C)C)[nH]c4c3)CC2)cc1 1862102302 XSUSJBZJCZQJSF-HSZRJFAPSA-N 493.633 3.559 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864019364 JNMHGDDVLRCJBY-FQEVSTJZSA-N 482.968 3.779 10 10 JHCE CCN=c1nc(Nc2ccc(Br)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871567132 KTNNIENUCRETPU-UHFFFAOYSA-N 498.429 3.875 10 10 JHCE COC(=O)c1ccc(CNC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872884557 YREZKCRIWQRMTM-UHFFFAOYSA-N 473.573 3.734 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873167456 IGLFVIFFZNSOSK-RUZDIDTESA-N 490.648 3.819 10 10 JHCE CCCn1c(C(=O)NCCCOC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873574274 UXVFEDIPZRVLHG-UHFFFAOYSA-N 494.640 3.721 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(CN)c2I)c(O)c1 2079855970 QHVDUFRGRGTNHU-MRXNPFEDSA-N 455.340 3.958 10 10 JHCE CCOC(=O)COc1c(Cl)cc(C=C2SC(=O)N([C@@H](C)C(=O)OCC)C2=O)cc1Cl 2294143592 OZJACFFQVWETLG-JTQLQIEISA-N 476.334 3.923 10 10 JHCE COCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2296543486 GUVGJYYDSLKDGR-UHFFFAOYSA-N 480.615 3.505 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCNC(=O)COc3ccc(Cl)cc3)C2=O)c1 2320656185 SHYZRNMKPGBCPZ-UHFFFAOYSA-N 462.980 3.745 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cncc(NS(=O)(=O)c4ccc(Cl)cc4)c3)CC2)cc1 9151986 AVWGWMMBMHZINN-UHFFFAOYSA-N 486.981 3.507 10 10 JHCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)ccc1OC(C)=O 20702911 IOKITYPBFQTGHT-MHFBZVNJSA-N 498.601 3.904 10 10 JHCE O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 31682907 YTMPOIPQEPRAMP-UHFFFAOYSA-N 477.402 3.773 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3ccc(OC(F)(F)F)cc3c2=O)c2nccn2C)cc1 1866462649 JXFAEYNMIMVNBR-HXUWFJFHSA-N 485.466 3.746 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(N(C)C)cc3[nH]2)N2CCCCC2)cc1 1866502412 IFPMEXSSPUEZIW-RUZDIDTESA-N 461.610 3.617 10 10 JHCE CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867307889 LNLLOPMZSPRMPT-RPWUZVMVSA-N 496.652 3.622 10 10 JHCE CC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868753374 DXSJUAJXFOLEFO-DEOSSOPVSA-N 489.620 3.570 10 10 JHCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(C)c2ccc(OC)c(OC)c2)n1 1869116799 SEGGRVXAKDOIIN-UHFFFAOYSA-N 493.608 3.786 10 10 JHCE CC[C@H](c1ccc(C)cc1O)n1nc(C(F)(F)F)c(C(N)=O)c1I 2079035778 KVHACSWMTAMRAL-SECBINFHSA-N 453.202 3.619 10 10 JHCE CN(C[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCO1)C(=O)OC(C)(C)C 2163079243 GDPDOTUDEJFACD-KRWDZBQOSA-N 476.618 3.634 10 10 JHCE Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 2294095086 ILVNNMULWDNRLI-UHFFFAOYSA-N 461.449 3.906 10 10 JHCE COc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCCC(=O)O 2314934072 XTHFWJWLCNUANT-UHFFFAOYSA-N 459.501 3.683 10 10 JHCE COc1ccc(Br)c(CN[C@@]2(C)CN(C(=O)OC(C)(C)C)CC2(F)F)c1O 2361662733 NRYNTPWHGXHBJI-KRWDZBQOSA-N 451.308 3.898 10 10 JHCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 10962708 BSPOSVYZANKWIQ-UHFFFAOYSA-N 470.577 3.690 10 10 JHCE CCN(CC)c1ccc(CN(CCOC)C(=O)c2cccs2)c(OS(=O)(=O)CC)c1 36009019 YIJIROLQCBHNRY-UHFFFAOYSA-N 454.614 3.612 10 10 JHCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)c1 526160199 XUIAHEIDUCHCSE-DEOSSOPVSA-N 477.469 3.943 10 10 JHCE COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1 1084240470 LILISBSAKNAJPZ-MTJSOVHGSA-N 475.476 3.995 10 10 JHCE C#CCN(CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCCN1CCN(CC)CC1 1705606102 WWXMLCLOSVHHTB-UHFFFAOYSA-N 473.669 3.840 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(C)c(-c5ccccc5)c(O)n4)CC3)CC2)cc1 1858556361 QNLZSUJVFZXTKL-UHFFFAOYSA-N 487.604 3.731 10 10 JHCE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(Cc2ccc3c(c2)OCO3)CC1 1860484679 YQOPQCIIRDLWQS-BYYHNAKLSA-N 497.596 3.866 10 10 JHCE CC[C@H](C)[C@@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC)C(=O)O 1860760864 GCGOVKPRVAPIMH-BBATYDOGSA-N 460.552 3.681 10 10 JHCE CCOc1ccc(OCc2nc3s/c(=C\c4ccc(N(CC)CC)cc4)c(=O)n3n2)cc1 1860792760 DQFNSFFBTXJGCA-QNGOZBTKSA-N 450.564 3.523 10 10 JHCE CCN(CC)CCn1cc(OCC=C(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870611982 HWCVCMZRDFXEQJ-UHFFFAOYSA-N 482.669 3.866 10 10 JHCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871496475 AWSAPOFJJUQXNW-UHFFFAOYSA-N 487.530 3.635 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873164747 QDERXGNWBBWJRA-UHFFFAOYSA-N 498.627 3.937 10 10 JHCE CCn1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546133 DBNJQOWLMCQEIF-BGYRXZFFSA-N 476.625 3.905 10 10 JHCE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CCC2 2200987778 KEMBEOSWHZQIMK-UYAOXDASSA-N 473.570 3.897 10 10 JHCE COc1cc(OC)c(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br 2294093725 ILCYDGAVXFTWQA-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(O)c(Br)c1 2294133730 DYPNGICVIQPDQF-UHFFFAOYSA-N 466.085 3.584 10 10 JHCE COc1cc(C=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc(Br)c1OCC(=O)O 2297366483 CAGIFAHCTFIBHX-UHFFFAOYSA-N 490.266 3.635 10 10 JHCE COc1cc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2C)ccc1OCCN1CCOCC1 2332105242 LGONZEDVTAXIGU-UHFFFAOYSA-N 463.578 3.825 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 16922646 YOZGHWRGJDVMCO-SXGWCWSVSA-N 494.497 3.922 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC[C@H](c3ccco3)N(C)C)C2=O)cc1 205607590 GQLIMLQHXQBXLZ-SQVRNEIYSA-N 473.620 3.689 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(C)O)C1 1301648098 LYJFFOHJBFNNPL-QFIPXVFZSA-N 478.641 3.818 10 10 JHCE CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]32CCC(=O)N2CCOCC2)cc1 1616183020 WQXZYDOAQZNPFM-RQDZCNCFSA-N 471.686 3.817 10 10 JHCE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)Cc1ccccc1O 1705896779 XVEQWMHJSIMBKJ-MRXNPFEDSA-N 451.596 3.776 10 10 JHCE CCN(Cc1ccccc1)C(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n2ccccc12 1858223927 JCXKLZXCXZEEBC-UHFFFAOYSA-N 497.599 3.968 10 10 JHCE O=C(Cc1ccc(Br)s1)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858769025 RXLLUPGRGXGGMH-UHFFFAOYSA-N 497.370 3.974 10 10 JHCE CCCc1nc2ccc(C(=O)N[C@@](C)(CC)C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1862108872 GSQAQPMYZHUSLM-MHZLTWQESA-N 477.609 3.771 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019610 NHIYOKVXKLZGAL-DEOSSOPVSA-N 496.567 3.916 10 10 JHCE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865031740 NLCOUEHZQIQCDY-KRWDZBQOSA-N 486.450 3.619 10 10 JHCE CC[C@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868637615 ULUGBNBAGRRYDX-DEOSSOPVSA-N 490.604 3.753 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OC)c4)n(-c4ccccc4)n3)CC2)cc1 1869970862 YLHCWQNKSMLYDO-UHFFFAOYSA-N 484.560 3.863 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873164066 KMYUCKBQRLBERT-UHFFFAOYSA-N 463.541 3.954 10 10 JHCE C[C@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1c(O)cccc1O 2259426439 RMSFZRXLFMJYRY-HNNXBMFYSA-N 451.564 3.605 10 10 JHCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)ccc1OC(=O)c1cccs1 2297341095 UKZGSDKTSROVDR-UHFFFAOYSA-N 458.546 3.916 10 10 JHCE CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)N(CC)C3=O)c2C)sc2c1CCCC2 2297351499 OJJIAZHICCLGSO-UHFFFAOYSA-N 469.563 3.693 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 2297499658 SPJPHTRUSYFFNS-UHFFFAOYSA-N 489.557 3.977 10 10 JHCE CCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)[nH]c2ccccc12 2297639075 YQSNOISSIMPZFK-UHFFFAOYSA-N 474.586 3.685 10 10 JHCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2314769559 RXAOTAZJEDQCJQ-GOSISDBHSA-N 459.545 3.828 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccn1-c1ccc(C(=O)O)cc1 9265509 SQESOAPZUXJITH-PDGQHHTCSA-N 480.274 3.604 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(NC(C)=O)c4c(c3)ncn4CCc3ccccn3)CC2)cc1 11995342 VLVYXLCWIKXFNN-UHFFFAOYSA-N 498.587 3.603 10 10 JHCE N=C1/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356669 SFBRGCZFYGMLIG-JRTRTLMXSA-N 499.955 3.967 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nn(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])CC2)cc1 20516238 SKXRVWWAULISHH-UHFFFAOYSA-N 465.554 3.688 10 10 JHCE O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 33363501 MDEPIOBYOCMBPW-PTNGSMBKSA-N 460.587 3.745 10 10 JHCE COC(=O)c1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c(Br)cc1Cl 728262975 NZRBQXFOSWAXJI-UHFFFAOYSA-N 489.775 3.527 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N3C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C3)CC2)cc1 743362381 BJBRKBZRLLQXMK-HOTGVXAUSA-N 482.469 3.590 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@H](C)C(=O)N4)c(C)s2)cc1OC 1859573679 XLGCCPYVFOZBRY-NSHDSACASA-N 459.549 3.992 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010652 VHKKZCBFSCCWAH-QFIPXVFZSA-N 466.582 3.960 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864016509 QUJOLDWBUIEVKF-HXUWFJFHSA-N 462.550 3.838 10 10 JHCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029961 ZFHWFWDDMWCZJT-QFIPXVFZSA-N 474.561 3.861 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)c(Cl)c4)n(C)n3)CC2)cc1 1869969859 WDMWJOXQYMXJTD-UHFFFAOYSA-N 461.353 3.709 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc4cc[nH]c4c3)CC2)cc1 1873534186 RZHJFXUISCDIAZ-UHFFFAOYSA-N 452.518 3.597 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccccc3C)cc1C2=O 1873857535 YYKUVKVWNCMIIA-UHFFFAOYSA-N 457.438 3.873 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccccc3F)cc1C2=O 1873861603 CVJMDTGKIJHGNT-UHFFFAOYSA-N 461.401 3.704 10 10 JHCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(CO)c1I 2079858522 RCDZLTHNFHSOJD-NSHDSACASA-N 456.202 3.712 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc(C(C)C)cc1 2297345426 VNANWLHMYPNZBD-UHFFFAOYSA-N 469.592 3.839 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)NCCc1ccc(O)c(O)c1 2297500642 JGOHNIDUDGSKCZ-UHFFFAOYSA-N 462.980 3.701 10 10 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3.821 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1 1862185390 LKUNGNBGDCAUIR-UHFFFAOYSA-N 474.001 3.588 10 10 JHCE CCCOc1ccc(N2CC[C@H](N(CCc3ccc(OC)c(OC)c3)C(=O)C=CC(=O)O)C2)cc1 2293410415 DLWVAZAEQMIQQY-QFIPXVFZSA-N 482.577 3.783 10 10 JHCE COc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 2297322170 IOEDDJLAOIXGKJ-UHFFFAOYSA-N 481.755 3.951 10 10 JHCE N=C(NO)c1cnc(Sc2cc(I)ccc2Br)s1 2316412267 WUZCEJKDCYVJOO-UHFFFAOYSA-N 456.128 3.966 10 10 JHCE CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@H]1Cc1cn(C)c3cccc2c13 8035407 YSEXMKHXIOCEJA-OECQAKIHSA-N 484.394 3.911 10 10 JHCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14469157 IOKITYPBFQTGHT-HNUDFCBZSA-N 498.601 3.904 10 10 JHCE O=C(O)CNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15044624 ORUINXBRSYJFGE-LCYFTJDESA-N 461.392 3.956 10 10 JHCE O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1Br 33320003 YLTBUINMYOVWON-QPEQYQDCSA-N 479.283 3.723 10 10 JHCE Cn1cc(OCc2ccccc2)c(=O)cc1Cn1nc(Cc2ccc(N)cc2)c2ccccc2c1=O 821186407 FOCOKWXHQCJBQS-UHFFFAOYSA-N 478.552 3.896 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864014000 LDHYMQHGCWGHAS-NRFANRHFSA-N 496.995 3.974 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864022016 IOUZGQDUFVQBPW-KRWDZBQOSA-N 488.466 3.734 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865026215 KDKVGKADBKZFQE-IQMFZBJNSA-N 492.551 3.743 10 10 JHCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035319 QPRHTCXUJARDDZ-OAQYLSRUSA-N 494.979 3.875 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868746051 BPXQHGLHANAZIJ-FUZQEDAYSA-N 499.611 3.880 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCOC(C)C)C2=O)cc1 1873165242 KFKULLSAXTYGKW-UHFFFAOYSA-N 453.583 3.614 10 10 JHCE CCn1c(C(=O)N2CCCCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546266 IVVYSMNJYYPILH-UHFFFAOYSA-N 462.598 3.803 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079856798 WLLCIZAZQYMNDA-GFCCVEGCSA-N 482.196 3.918 10 10 JHCE CCOC(=O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1OC 2294095269 MPOAIJMAUQDJDP-UHFFFAOYSA-N 480.517 3.601 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2297313688 ORYMHSJUHOJTEU-UHFFFAOYSA-N 496.035 3.608 10 10 JHCE Cc1cc2c(N3CCC[C@H](C(=O)NCc4ccc(N5CCOCC5)cc4)C3)nccc2s1 33174063 CVTIQUHCNPULSE-FQEVSTJZSA-N 450.608 3.974 10 10 JHCE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33803852 WGXZKQNMUUFUFC-PDGQHHTCSA-N 484.578 3.602 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3nc(-c4cccc(F)c4)n4c3CCCCC4)CC2)cc1 63552641 UMZNHPILPZQJTL-UHFFFAOYSA-N 491.611 3.976 10 10 JHCE COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]32)c1O 247905765 HNROZFAYJLMHOO-YHZQYDDPSA-N 484.593 3.773 10 10 JHCE Cc1cc(CCNC(=O)C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)c(C)n1-c1ccccc1 729785188 XDTKHJASYLOQFC-OAQYLSRUSA-N 474.605 3.785 10 10 JHCE CC[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862111496 DIVABFWTERPNJR-JOCHJYFZSA-N 474.001 3.750 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871527094 WCTMCSYJYRWGJR-UHFFFAOYSA-N 496.619 3.996 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873164345 XMRLBBRBUXRAHM-UHFFFAOYSA-N 480.572 3.646 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(N)c2I)c(O)c1 2079854079 FDLWHSSPYTVXQW-GFCCVEGCSA-N 453.202 3.802 10 10 JHCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)ccc(N)c2C1 2153990105 JNXVLQFWGGMECO-LOSJGSFVSA-N 464.610 3.652 10 10 JHCE O=S(=O)(O)c1cc(O)c(/N=N\c2ccc3c(S(=O)(=O)O)cccc3c2O)cc1Cl 12405043 AYHLSSSEVIQUHA-HNENSFHCSA-N 458.857 3.813 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 33436359 SWUXJZNEHGSMTR-WBXVYAGQSA-N 451.464 3.821 10 10 JHCE COCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33509052 MBLMDSLZLYBWOH-GHRIWEEISA-N 458.609 3.533 10 10 JHCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@H]43)C[C@H]2C)cc1 504246501 HORBAYPOSKXLJO-JOZXSPSASA-N 454.611 3.731 10 10 JHCE biogenic CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@](C)(O)CC[C@]32CCC(=O)N2CCOCC2)cc1 1616183021 WQXZYDOAQZNPFM-XSRCTALUSA-N 471.686 3.817 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cc(C)ccc4OC)n4ccccc34)CC2)cc1 1858230767 BSAYLTKJUHNWFD-UHFFFAOYSA-N 499.571 3.875 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4ccc5c(c4)OCO5)c4ccccc34)[C@@H]21 1860347372 MQKYOXVIDAUWHC-MUUNZHRXSA-N 494.551 3.833 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011826 LQLXIEKBHKPLLJ-QFIPXVFZSA-N 478.524 3.544 10 10 JHCE CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867394041 KTOXAVNZLKMRQA-IZZNHLLZSA-N 496.652 3.622 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969399 YPQXRQBSWLIHDY-UHFFFAOYSA-N 452.647 3.640 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(C)c5)CC4)nc(C)n3)CC2)cc1 1867990628 RBRMZCXEQXDHNV-UHFFFAOYSA-N 458.610 3.755 10 10 JHCE CCCOC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871236801 HUILSUBAFWECRX-UHFFFAOYSA-N 451.523 3.528 10 10 JHCE CCOC(=O)N1CCC(N2C(=O)C(NC3CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873167225 XAVWZIZWYZIWRG-UHFFFAOYSA-N 476.577 3.547 10 10 JHCE CCCCn1c(C(=O)NCc2ccncc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873580974 QWFDPHXVYNYURS-UHFFFAOYSA-N 499.619 3.892 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H]2CC(=O)N(CCCCCC(=O)O)C2=O)C1=O 2040464356 KRBIUBQLRKODFF-QGZVFWFLSA-N 472.588 3.607 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@@H](CCSC)C(=O)O)C1=O)C(C)=O 2314928265 SBGSVXVJKBXNNY-LSDHHAIUSA-N 453.607 3.841 10 10 JHCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(Sc3ccccc3)nc12 33450934 QFNASYWQWCPALD-VBKFSLOCSA-N 483.596 3.830 10 10 JHCE O=C(NCCc1ccc(O)c(O)c1)c1cnn(-c2ccc(Br)cc2)c1-n1cccc1 1860176169 TZPUDCNKZZOODF-UHFFFAOYSA-N 467.323 3.809 10 10 JHCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N[C@H](CO)c1ccccc1 1860345085 SEUFDNSQOWRYOV-XMMPIXPASA-N 478.552 3.814 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010272 RACYYCGXBYKEKR-HSZRJFAPSA-N 487.560 3.688 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864014407 ULTXVWINAYWZOH-HXUWFJFHSA-N 482.968 3.931 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864015273 NUZYLAYRIKLVLE-OAHLLOKOSA-N 494.857 3.786 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1865028362 SPCUUGDHCSNKIS-HSZRJFAPSA-N 492.576 3.944 10 10 JHCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865035143 MIJHOUNHJYRBKU-HXUWFJFHSA-N 456.587 3.856 10 10 JHCE Cc1ccc(C(C)(C)CCC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866791030 KMNWUSWIJUTWBE-DEOSSOPVSA-N 498.579 3.944 10 10 JHCE CCOc1ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867529825 LLADIFMQKHWLFE-CJFMBICVSA-N 466.626 3.613 10 10 JHCE CCOc1ccc(-c2nc(N3CCOCC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1867995078 XNZISZHBLWFWTO-UHFFFAOYSA-N 475.593 3.714 10 10 JHCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1869222315 GKVLAXRLTPUTID-XMMPIXPASA-N 474.609 3.737 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873170678 LWIFKJOMLHVVNL-UHFFFAOYSA-N 478.637 3.673 10 10 JHCE C[C@@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1c(O)cccc1O 2084900195 VRALSPGTQYSNHQ-OAHLLOKOSA-N 453.580 3.947 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)c1 2296539446 YWDQBNALHQJMLS-KRWDZBQOSA-N 493.610 3.731 10 10 JHCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(N2CCCCC2)o1 2313560445 TYYRWJNWJYIVGE-UHFFFAOYSA-N 460.353 3.864 10 10 JHCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 2314767095 DRAPTBHSLFUPOP-KRWDZBQOSA-N 474.516 3.815 10 10 JHCE Cc1c(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2314929980 VTMMINGVUVMKMO-OAHLLOKOSA-N 495.582 3.742 10 10 JHCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2cccc(O)c2O)cc1 21659005 YNVPIIYCLXFRSD-JOCHJYFZSA-N 480.524 3.929 10 10 JHCE CCCn1c(=O)c(-c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2)nc2cccnc21 33170475 LERUWVYKBAQXOA-UHFFFAOYSA-N 483.572 3.635 10 10 JHCE CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OC 59135230 AANYXJFUHOUFFO-NVNXTCNLSA-N 476.844 3.936 10 10 JHCE O=C1/C(=C\c2ccccc2OC(F)F)SC(=S)N1CCC(=O)N(CCO)c1ccccc1 210497515 DQFCMLDSQALQSG-NBVRZTHBSA-N 478.542 3.905 10 10 JHCE CN(C)c1ccc([C@H]2C(c3cccs3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526313684 TVMZVRYWOCXRLP-FQEVSTJZSA-N 455.561 3.519 10 10 JHCE CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)cc2)CC1 731015788 GRGCTOKIAHIAPA-OAQYLSRUSA-N 461.653 3.844 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)cc4oc(=O)c5c(c34)CCC5)CC2)cc1 1860275882 IJIFNFOVZLHYER-SFHVURJKSA-N 462.546 3.715 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 1862112052 NPLXWDUJMPKRCF-HSZRJFAPSA-N 486.012 3.846 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008223 GFGXRRBAYUOOOI-NYHFZMIOSA-N 462.550 3.569 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018368 JPTSGXSWZCXNNI-LHSJRXKWSA-N 480.540 3.653 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865026216 KDKVGKADBKZFQE-NPMXOYFQSA-N 492.551 3.743 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865034172 QWUAZFXYVYPWGK-KRWDZBQOSA-N 494.514 3.922 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)cc4)n(-c4ccccc4)[nH]3)CC2)cc1 1869969588 FSHPPYMVYXFXEN-UHFFFAOYSA-N 468.561 3.585 10 10 JHCE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1 2297352242 ARLYXURNWIUMGA-UHFFFAOYSA-N 462.358 3.661 10 10 JHCE O=C1C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2297364530 KTGFNUFZXQWMOL-KRWDZBQOSA-N 496.589 3.826 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 2297577759 YXFANLGOYXXKBK-UHFFFAOYSA-N 486.571 3.697 10 10 JHCE CCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314740254 DSKUZXNQTUHBFB-UHFFFAOYSA-N 460.371 3.621 10 10 JHCE COC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314741362 XSHBSTQQVJYNKB-UHFFFAOYSA-N 460.371 3.621 10 10 JHCE Cc1ccc(CNC(=O)C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C)c(O)c1Br 2380739566 LPJIXJMCWNRHHM-LBPRGKRZSA-N 451.308 3.970 10 10 JHCE Cc1ccc(CN(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2)c(O)c1Br 2381129806 PHXZFLHPTLRXPE-CQSZACIVSA-N 459.406 3.774 10 10 JHCE Cc1ccc2c(c1)S/C(=C/c1sc3ccccc3[n+]1CCO)N2CCCS(=O)(=O)O 3639839 WSTMLMHZZCGFGC-UHFFFAOYSA-O 463.626 3.678 10 10 JHCE COc1ccc(/C=C2/SC(Nc3c(C)n(C)n(-c4ccccc4)c3=O)=NC2=O)cc1OC 33282898 UJDHHOPOJPWRPB-CPNJWEJPSA-N 450.520 3.584 10 10 JHCE CCOc1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38598167 ZMNRAHCVFXEKMS-VWLOTQADSA-N 463.578 3.909 10 10 JHCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 39716347 ADHSLZCRKXTXIJ-LBRXUCBSSA-N 496.614 3.611 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(C)c3NC(=O)c3ccncc3)c2)CC1 1634193616 AMYFYFIFRFEGSE-UHFFFAOYSA-N 457.534 3.563 10 10 JHCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864015856 XCXMCGBRRBDKHN-KRWDZBQOSA-N 488.466 3.830 10 10 JHCE CC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867644485 WPAYGANMIQLSRB-IZZNHLLZSA-N 493.652 3.563 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccccc4Cl)n(C)n3)CC2)cc1 1869969820 UCHDUQFTYGOFPW-UHFFFAOYSA-N 484.988 3.601 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 1872642670 WMAPEOPGOKBHQT-UHFFFAOYSA-N 494.592 3.725 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1 2297345844 HUIMUQOLIDNQIC-CQSZACIVSA-N 498.586 3.847 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1O 2314827797 MNYNNJVOUZJUGR-UHFFFAOYSA-N 462.524 3.779 10 10 JHCE COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(Cc2ccc(N(C)C)cc2)C3)cc1 14741956 UIZBYLIDWTYZAI-UHFFFAOYSA-N 473.621 3.651 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1OC 16906206 HFLHIKMCUHQZFJ-LDADJPATSA-N 489.571 3.863 10 10 JHCE CCOc1ccc(C(=O)Nc2cc(OC)c(OC)cc2N2CCOCC2)cc1Br 20496448 SOMYKPPLEPKRBT-UHFFFAOYSA-N 465.344 3.954 10 10 JHCE CCC1=NN2C(=N)/C(=C/c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)N=C2S1 27531200 JVPPDGFHTZQCSV-PALNNIJKSA-N 454.533 3.792 10 10 JHCE CC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=S)N(CCN4CCOCC4)C3=O)c2C)c1 28977407 NDHPVADOLHDSTH-JCMHNJIXSA-N 469.632 3.830 10 10 JHCE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1 62694320 VFVLJYUTJOTQHD-UHFFFAOYSA-N 451.592 3.592 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NCc4ccc(F)cc4)[C@@H]3C2)cc1 104919760 STHXLDODADTJIA-RSXGOPAZSA-N 490.535 3.926 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2cc(C)cc(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 256039372 YMWFVHNNUBAPFA-DQEYMECFSA-N 474.667 3.579 10 10 JHCE CN(C)c1oc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br 1084502793 WSPKPHQYFOBICZ-GHXNOFRVSA-N 499.184 3.702 10 10 JHCE CCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O 1084571634 VXKMGJPRENXZAU-JXAWBTAJSA-N 457.324 3.942 10 10 JHCE C#CCN1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCOC)CC1 1705635445 YXTIFGBWLLZYQU-UHFFFAOYSA-N 460.626 3.925 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCSc2nccs2)CC1 1722748430 XWAYNZCEWIJDMZ-SFHVURJKSA-N 464.661 3.606 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCc3ccc(C)c(C)c3)CC2)cc1 1861945293 PARPNTONKZQDLX-RUZDIDTESA-N 483.678 3.831 10 10 JHCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864019482 ZVGFVJKSTLWVII-FQEVSTJZSA-N 452.555 3.578 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031886 QQISNNKDXHERMA-FQEVSTJZSA-N 462.550 3.842 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865034824 FQUJBJCWTMCYHN-JOCHJYFZSA-N 476.577 3.866 10 10 JHCE C/C(=C\C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(S(=O)(=O)N(C)C)c1 1868175450 QSXZYYWRMGPAFB-JQIJEIRASA-N 474.538 3.754 10 10 JHCE CCC[C@H](NC(=O)CCCC(=O)c1cccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868734201 CPMRKSKESVHPAJ-NRFANRHFSA-N 471.623 3.743 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCOc4ccccc4)c(OC)c3)C2=O)cc1 2293175796 SVIRNCDJIBZIFO-UHFFFAOYSA-N 488.496 3.828 10 10 JHCE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 2294581291 BHHDHGGVLLCDRX-UHFFFAOYSA-N 474.429 3.847 10 10 JHCE Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=N)N4N=CSC4=NC3=O)cc2Cl)cc1 2297366237 JOORUKGUPZWPDJ-UHFFFAOYSA-N 460.924 3.665 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OCCC(C)C)cc3[N+](=O)[O-])C2=O)cc1 2313548701 CJEQKXBSJREJOA-UHFFFAOYSA-N 483.477 3.703 10 10 JHCE CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(CC)C3=O)c2C)cc1 2313656670 VCOONQVRTYMVCD-UHFFFAOYSA-N 453.564 3.698 10 10 JHCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1cccc(Br)c1 10673063 KRAHZDCAXONJBQ-RQZCQDPDSA-N 491.388 3.809 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1Cl 11857788 VVMLMMSBOLSMFF-JTQLQIEISA-N 465.940 3.992 10 10 JHCE Cc1c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(N2CCC[C@H](C)C2)n(C)c(=O)c1C#N 33812083 ZLPARZBDGHUSQB-KVMVOAJRSA-N 456.637 3.946 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1 97998747 CKERBIVZUYQOGD-GDNBJRDFSA-N 497.661 3.760 10 10 JHCE COc1ccc(N2CCCN(C(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccco3)CC2)cc1 108427035 BOJMPDBXFOYATD-XMMPIXPASA-N 459.546 3.594 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(C(=O)OC)cc1 205947010 GGAVDTXJKUSSSW-DEDYPNTBSA-N 464.503 3.735 10 10 JHCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@H]43)C[C@@H]2C)cc1 504246497 HORBAYPOSKXLJO-HFZFQGRWSA-N 454.611 3.731 10 10 JHCE biogenic CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)CN(C)C)CC1 1741042011 OVLWKERPRLFEMU-UHFFFAOYSA-N 477.657 3.609 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4C)c4ccccn34)CC2)cc1 1858224660 AAWVPKWBWAUDJZ-UHFFFAOYSA-N 469.545 3.866 10 10 JHCE CCC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862076043 SNCVZJCMDWCKKX-XMMPIXPASA-N 475.593 3.503 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCCOc3ccccc3Cl)CC2)cc1 1862226419 PFJZSSOGCXOZNR-UHFFFAOYSA-N 474.001 3.751 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018726 BEPISTMCLIGAQX-JOCHJYFZSA-N 474.561 3.658 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccco1)[C@@H]2c1ccc(O)c(O)c1 1864021529 CGRVSAUCDAVKPS-MRXNPFEDSA-N 492.454 3.573 10 10 JHCE COCCCN=c1nc(Nc2ccc(C(C)C)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871503689 GEKIVQMVQTYQFB-UHFFFAOYSA-N 491.640 3.944 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc3nc(CCc4nc5ccccc5[nH]c4=O)[nH]c3c2)c1 1872807652 YKIVFLQMMUYPSS-UHFFFAOYSA-N 452.518 3.903 10 10 JHCE CCCCN1C(=O)C(=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S 2297056446 DQHAKPJQMQCGEW-UHFFFAOYSA-N 481.574 3.659 10 10 JHCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(Br)cc2F)SC1=S 2323808895 QGVOQYRSZCVCKQ-LLVKDONJSA-N 450.376 3.996 10 10 JHCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(OC)cc4)n3)cc21 11857500 MVCBAPRLDMXWTJ-UHFFFAOYSA-N 459.549 3.755 10 10 JHCE Cc1c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(N2CCC(C)CC2)n(C)c(=O)c1C#N 33383587 QRUHREXQWXYMJA-XDHOZWIPSA-N 456.637 3.946 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1ccc([N+](=O)[O-])cc1 33417523 JPNYMBYJMXYHII-LICLKQGHSA-N 457.489 3.554 10 10 JHCE Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c(C)c1 59859778 PQOLMQNDBFONKL-SFQUDFHCSA-N 450.451 3.555 10 10 JHCE COc1ccc(NC(=O)c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)cc1 1858231718 XFTGSAMQPBEELX-UHFFFAOYSA-N 485.544 3.566 10 10 JHCE CC[C@H](Oc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)OC 1858848319 DYELJTFGBFGRPL-SFHVURJKSA-N 459.458 3.831 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864020534 DGFSWOZSFPXLSD-QFIPXVFZSA-N 494.567 3.705 10 10 JHCE COCCCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871569075 YMFAFTBAULYMKI-UHFFFAOYSA-N 498.031 3.783 10 10 JHCE CCCCCOc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC 2296545500 WDCWVHNMPSBQED-HNNXBMFYSA-N 455.623 3.653 10 10 JHCE COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 2297365863 RHFNGWUGTFOBFI-UHFFFAOYSA-N 467.934 3.607 10 10 JHCE COc1ccc(CC2=NN3C(=N)C(=Cc4ccc(Br)o4)C(=O)N=C3S2)cc1OC 2297469003 IHONNFYZYIQGKY-UHFFFAOYSA-N 475.324 3.921 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 2313559260 VCDSDCFIXHCAFN-UHFFFAOYSA-N 482.405 3.733 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314414227 SWDZICMBTNNOSY-UHFFFAOYSA-N 472.636 3.621 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)cc1)C(=O)O 2314928763 BFBMVBAYLGMQIO-MRXNPFEDSA-N 460.508 3.614 10 10 JHCE COc1cc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 1206612 AVTVRERYCLWRLH-QPEQYQDCSA-N 465.687 3.786 10 10 JHCE CCOC(=O)c1c(N/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)sc2c1CCCC2 8440462 KXMZOPOWKAKKSV-FOWTUZBSSA-N 453.520 3.691 10 10 JHCE COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)c1 96460980 WAKHXFGQSJLYSK-QAMDQIOTSA-N 485.591 3.503 10 10 JHCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2nc(CC(=O)O)cs2)C1=O 210495653 DILWJDUHOWDRIO-KJZHCDIESA-N 459.574 3.556 10 10 JHCE COc1ccc(/C=C\C(=O)Oc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)cc1 210607754 BHQAYDMZEQDAFS-DPPOFUENSA-N 455.513 3.600 10 10 JHCE C[C@H]1CN(c2ccc(CNC(=O)CN3CCC[C@H](CN4CCCCCC4)C3)cc2F)C[C@@H](C)O1 728686952 ZGXMZOJGNGYQCX-AOHZBQACSA-N 474.665 3.644 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)CCOc3cc(Cl)cc(Cl)c3)cc2)CC1 1296399410 IMVYHWFZGOXQJA-UHFFFAOYSA-N 450.366 3.747 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864012643 FUMKHEAJHPHDOC-OAQYLSRUSA-N 480.540 3.655 10 10 JHCE COC(=O)c1c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(C)cc1 1866239860 WVNSUWDHBZUGON-MRXNPFEDSA-N 489.594 3.916 10 10 JHCE CCC[C@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868788503 GAOLSBHWHHCNDX-QFIPXVFZSA-N 491.636 3.888 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N(C)Cc3ccccc3)n4C)CC2)cc1 1873544302 ZPOBHNAITZDFCR-UHFFFAOYSA-N 470.577 3.576 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCc3ccc(C)cc3)cc1C2=O 1873872181 JILILASMCNWWMO-UHFFFAOYSA-N 471.465 3.551 10 10 JHCE COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc12 1874016630 HUELKYWFUWFWLU-AWEZNQCLSA-N 497.507 3.718 10 10 JHCE O=C(O)c1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 2297328963 SRMDTIIGNZBGNS-HNNXBMFYSA-N 472.931 3.572 10 10 JHCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 2297345562 HTSLWCIFGMPBRG-UHFFFAOYSA-N 487.519 3.502 10 10 JHCE CC1CCN(C(=O)Cn2cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)CC1 2313631305 JMHIUNKBWZZRJJ-UHFFFAOYSA-N 476.577 3.694 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C=Cc3ccc(F)cc3)CC2)cc1 2328576502 VLLSUQIRBOUUBK-MHZLTWQESA-N 487.575 3.924 10 10 JHCE Cc1ccc(CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c(O)c1Br 2380722647 QRCHWLPMKOQLCR-LLVKDONJSA-N 455.271 3.783 10 10 JHCE CC(=O)Nc1cc(N(CCOC(C)=O)CCOC(C)=O)ccc1N=Nc1ccc([N+](=O)[O-])cc1 606508120 SOWPUZMDITYESQ-UHFFFAOYSA-N 471.470 3.901 10 10 JHCE Cc1ccc(NC(=O)C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1C(=O)NC(C)C 731286141 SGTJUKSYAMJJDS-UHFFFAOYSA-N 460.578 3.838 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCCSc2nccs2)C1 1301650407 CQDSCUSGMWHYDS-MRXNPFEDSA-N 492.074 3.937 10 10 JHCE Cc1ccc(S(C)(=O)=O)c(C(=O)Nc2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)c1 1860854049 QZQSEWZOZXBETE-UHFFFAOYSA-N 451.548 3.969 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862209783 VQDNOMRCDHQEST-YKSBVNFPSA-N 497.661 3.836 10 10 JHCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864013151 QZFCVJUUTXONCN-QHCPKHFHSA-N 488.588 3.885 10 10 JHCE 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CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CC)CC)[C@@H]2c1ccc(O)c(O)c1 1865031343 FDAZHRBHOFLBQR-HXUWFJFHSA-N 462.550 3.934 10 10 JHCE Cc1[nH]nc(C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1-c1ccccc1 1867273838 QEMQGJUWMCPUCQ-MRXNPFEDSA-N 478.508 3.918 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](C)c3cccc(OC)c3)C(C)C)CC2)cc1 1868944256 WCGMRTOHIXBHCU-RXFWQSSRSA-N 467.610 3.687 10 10 JHCE COc1ccc([C@H](C(C)C)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2080054883 WYXVVXZRKPFTPK-HNNXBMFYSA-N 471.339 3.844 10 10 JHCE O=C1[C@@H]2[C@@H](C=Cc3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 2293880499 YRZXQCGDZQBCQW-ZLNRFVROSA-N 467.452 3.862 10 10 JHCE CCOc1cc(C=C2SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OS(C)(=O)=O 2297356757 YUARDWXOEDNQBC-UHFFFAOYSA-N 453.538 3.969 10 10 JHCE CCOC(=O)c1c(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)sc2c1CCCC2 2297453037 KXMZOPOWKAKKSV-UHFFFAOYSA-N 453.520 3.691 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2314934209 GJRVZNRHEJBNIP-UHFFFAOYSA-N 481.458 3.742 10 10 JHCE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3cccc4ccccc34)SC2=S)cc1 2323840649 DTQWAXPYQHSMQC-UHFFFAOYSA-N 454.598 3.931 10 10 JHCE Nc1ccc(CC[S@@](=O)c2cc(I)ccc2Br)cc1 2338412259 YSJIHNWHABJEIH-LJQANCHMSA-N 450.139 3.986 10 10 JHCE CCN(CC)c1ccc(CN(C(=S)Nc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54430621 XIHLAOIZNIHFFP-NRFANRHFSA-N 461.653 3.928 10 10 JHCE Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(c3cc(=O)n(C(C)C)c(=O)n3C(C)C)CC2)cc1 65024481 RRPRMZOOUQJXKK-UHFFFAOYSA-N 491.636 3.932 10 10 JHCE COc1ccc(CO[C@@H]2[C@@H](COC(C)=O)O[C@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H]2OCc2ccccc2)cc1 1083816750 NOLUREWJMGQUDD-JYSSUKAJSA-N 499.520 3.696 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCOC(C)(C)C)CC1 1540977308 AGUNBONHOJIAHJ-UHFFFAOYSA-N 464.614 3.836 10 10 JHCE Nc1ccc(Oc2cccc3c2C(=O)c2c(Oc4ccc(N)cc4N)ccc(N)c2C3=O)c(N)c1 1615947702 OWDYKQRVQCCVOO-UHFFFAOYSA-N 467.485 3.958 10 10 JHCE CN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4ccc(F)c([N+](=O)[O-])c4)n3)ccc21 1859573091 DSBSGXCPJCGXTO-UHFFFAOYSA-N 462.484 3.567 10 10 JHCE CCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862064569 NNKKSYJBIHFGRW-DEOSSOPVSA-N 453.583 3.731 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864020984 JUZUXHZHEIWGIE-XERREHJYSA-N 468.598 3.902 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@H]2c1ccc(O)c(O)c1 1864021642 QYFXVUWZRQOANC-QFIPXVFZSA-N 476.577 3.895 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032653 HTJJFESUVSVCMU-QFIPXVFZSA-N 474.561 3.799 10 10 JHCE CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867778447 SAWVKGZOJLQQCY-JWQCQUIFSA-N 482.694 3.948 10 10 JHCE CCNC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870973872 PELLSBAAWRIOCB-UHFFFAOYSA-N 478.593 3.882 10 10 JHCE COc1ccc(CN2C(=O)C(NCCc3cnc[nH]3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873169028 VPZRSUGWEJNYGD-UHFFFAOYSA-N 495.583 3.938 10 10 JHCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873169555 CTWQPVADNFTWTI-UHFFFAOYSA-N 458.562 3.785 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3cccc(Br)c3)CC2)cc1 1873532653 WUANZDAGAVHBFK-UHFFFAOYSA-N 492.377 3.878 10 10 JHCE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 2053539402 PMVWQSDURRWRQX-LBPRGKRZSA-N 482.879 3.637 10 10 JHCE CC(C)(C)OC(=O)NC1[C@H]2C[C@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2106713641 WHXDZFBQFYJOGJ-HOTGVXAUSA-N 458.603 3.911 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 2297346191 KUPODZSKSJDRLS-UHFFFAOYSA-N 479.946 3.508 10 10 JHCE CN1CCN(CN2C(=O)C(=C3SC(=S)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)CC1 2313621578 VNKNITAPGWFEPY-UHFFFAOYSA-N 485.034 3.668 10 10 JHCE CCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc1OC 2314767089 DNNNBEZDUSFTCR-UHFFFAOYSA-N 460.371 3.621 10 10 JHCE Cc1ccc(CN=c2nc(C3CN(C(=O)OC(C)(C)C)C3)[nH]s2)c(O)c1Br 2380798266 NOCHJWBVYQNXIX-UHFFFAOYSA-N 455.378 3.683 10 10 JHCE NC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)sc2c1CCCC2 1787923 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NQMGQBUHECJYIP-UHFFFAOYSA-N 493.463 3.695 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)ccc21 1860589973 LIBNBQDQEHRDRC-UHFFFAOYSA-N 482.492 3.682 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864007179 HGZZTPYNMRAEES-ZOUOIUENSA-N 474.561 3.981 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864019335 IWZVNOSOAWSWBL-LJQANCHMSA-N 468.941 3.720 10 10 JHCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864019925 RMQYRYFTKQJCAC-OROPLXNPSA-N 492.620 3.809 10 10 JHCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865026259 LDEXHGDCSPFKQG-OAQYLSRUSA-N 498.942 3.761 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865034243 RZYHPSRXXQOLQA-OAHLLOKOSA-N 468.476 3.532 10 10 JHCE CCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccccc1Cl 1869969108 FCTSEUHVCMSPFI-UHFFFAOYSA-N 454.962 3.995 10 10 JHCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1cc(Cl)ccc1F 2042449785 FHRMWEPTXVBKKL-UHFFFAOYSA-N 464.927 3.839 10 10 JHCE Cc1ccc2nc(Sc3ccccc3)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1 2314400688 QJUIOMXKZFTWJY-UHFFFAOYSA-N 483.596 3.830 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2314414207 SKNSWGWVUNZLOK-UHFFFAOYSA-N 466.588 3.845 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1 2314827814 MVLXVBVHTYXAJB-UHFFFAOYSA-N 471.516 3.611 10 10 JHCE Cc1cccc2c1N(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CCN2C(=O)OC(C)(C)C 2381020925 JCTMCVXZWPTGCN-MJGOQNOKSA-N 473.570 3.667 10 10 JHCE CCc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)c1 38619396 KUSMXSWKKDHZCA-HSZRJFAPSA-N 499.633 3.701 10 10 JHCE CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)COc3ccccc3)C2=O)cc1OC 40840466 JPJRRBXFXCVPFG-UYRXBGFRSA-N 458.561 3.795 10 10 JHCE CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 65116373 WDOHMMXPQGOYCM-UHFFFAOYSA-N 498.605 3.690 10 10 JHCE O=C(O)Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)cc1 210496384 CGOBEICYVDJTRP-MHWRWJLKSA-N 478.498 3.755 10 10 JHCE COc1cc(/C=C2/SC(N)=NC2=O)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 210901755 DWZIEGCTBKUOSX-CXUHLZMHSA-N 451.426 3.661 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864020075 VMAZZAYYYUUURP-QFIPXVFZSA-N 476.577 3.680 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864023001 TYRGKTYFTQOIFK-MRXNPFEDSA-N 482.503 3.970 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc(N3C(=O)CCCC3=O)cc2)N2CCCCC2)cc1 1865942067 KHTUECLSQDCIFZ-XMMPIXPASA-N 462.594 3.753 10 10 JHCE CCCCCOc1cn(CCCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870676297 SYRMUNLPGZGPOH-UHFFFAOYSA-N 457.615 3.785 10 10 JHCE O=C(CCCc1nnc2ccc(N3CCCCC3)nn12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016940 IOIVOIMMUYHZJQ-UHFFFAOYSA-N 494.555 3.851 10 10 JHCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 2297342120 SQVMEOJEYVCJQB-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NCc4cccs4)c4ccccc34)C2=O)cc1 2297365939 XYVCMJKNCLVJJV-UHFFFAOYSA-N 498.564 3.994 10 10 JHCE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 2314480522 FDPDAXMJFXPXHJ-QGZVFWFLSA-N 479.539 3.668 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)cc1OC)C(=O)O 2314932983 QVAZFJOUYNAERR-OAHLLOKOSA-N 490.534 3.623 10 10 JHCE O=C(O)[C@@H](Cc1cnc[nH]1)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2323718681 PBWGGDLVCYGSCM-LJQANCHMSA-N 465.556 3.886 10 10 JHCE CCc1cc(Cc2ccc(N(C[C@@H]3CO3)C[C@@H]3CO3)c(CC)c2)ccc1N(C[C@H]1CO1)C[C@@H]1CO1 95722066 PMPLQTWAQNSOSY-CWTOASCOSA-N 478.633 3.610 10 10 JHCE COCCN1C(=O)/C(=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)SC1=S 213165511 FTGVGPQXJPJLRM-AQTBWJFISA-N 467.572 3.951 10 10 JHCE COc1ccc(OCCCN(c2cccc3c2C(=O)c2ccccc2C3=O)S(C)(=O)=O)cc1 586185891 IBAYGNYGXLYZEO-UHFFFAOYSA-N 465.527 3.706 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)CC2)cc1 744291687 FROFPNPNEVORLC-UHFFFAOYSA-N 461.610 3.888 10 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PIQGYRGQTGTORI-UHFFFAOYSA-N 451.592 3.986 10 10 JHCE CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(CC)C(=O)CO4)cs2)cc1 11858057 AMTPBTFUEMHHIC-UHFFFAOYSA-N 459.549 3.755 10 10 JHCE COc1ccc(OCCOc2ccc(OC)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 96544527 XSYFQPYAAIPMHX-QJOMJCCJSA-N 460.486 3.623 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210701593 NANFLWHRBUIUDY-LFIBNONCSA-N 458.477 3.733 10 10 JHCE CC(C)Oc1ccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1859006356 QRUOUQSRCMWQSP-UHFFFAOYSA-N 497.573 3.506 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)cc1 1862092200 FSVZMYFDQWCBDH-IBGZPJMESA-N 483.572 3.706 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3ccccc3Cl)CC2)cc1 1862146916 HOJKHCSKEZHJMP-NWMLYGLHSA-N 453.970 3.702 10 10 JHCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864008935 VJUHXUCQWUADIC-HXUWFJFHSA-N 468.941 3.712 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864017938 YVYRVUJOZLOURE-HSZRJFAPSA-N 482.540 3.857 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864020258 XGQURXNVJSUTNX-QFIPXVFZSA-N 476.577 3.743 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865034874 GPYONJYOXLHRIF-NRFANRHFSA-N 480.540 3.607 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3snc4ccccc34)CC2)cc1 1869052054 OJYJJTQMQXDNRM-NRFANRHFSA-N 484.647 3.505 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)COCc4ccccc4)n(-c4ccccc4)n3)CC2)cc1 1869971101 XEOSYKKTFIFXTE-UHFFFAOYSA-N 498.587 3.758 10 10 JHCE CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870459135 KAKIWUNDOZECGX-UHFFFAOYSA-N 493.604 3.665 10 10 JHCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCCCN1CCCC1 1873904917 GAEADFPYUQHRPC-UHFFFAOYSA-N 483.616 3.957 10 10 JHCE CCOc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 2297360506 CUIKIXMZEHTCIU-UHFFFAOYSA-N 462.487 3.616 10 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O=C1c2ccccc2C(=O)c2c(NC(=S)NS(=O)(=O)c3cccc(Cl)c3)cccc21 1858610253 MWLPWGKGCYJUES-UHFFFAOYSA-N 456.932 3.791 10 10 JHCE C[C@@H]1CCc2c(sc(NC(=O)COc3cccnc3NC(=O)Oc3ccc(N)cc3)c2C(N)=O)C1 1858686122 LDMQNRHEPQEHTA-CYBMUJFWSA-N 495.561 3.577 10 10 JHCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013200 SAZAYZXMFPTBBX-NRFANRHFSA-N 480.540 3.653 10 10 JHCE Nc1ccc(Oc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)cc1 1866007275 NTFZZYLRNVWSBK-UHFFFAOYSA-N 487.965 3.988 10 10 JHCE C=Cc1ccccc1OCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869050616 CGYVTIKUPSHQMC-HHHXNRCGSA-N 499.611 3.793 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc(F)c(F)c4)[nH]3)CC2)cc1 1871686852 QGZDUSDBLCMOAL-UHFFFAOYSA-N 483.567 3.530 10 10 JHCE CCN(CC)c1ccc(C=C2SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 2297291922 UKSUCYKOTIHRMR-UHFFFAOYSA-N 456.549 3.987 10 10 JHCE COc1ccc2c(c1)c(C=C1SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C1=O)cn2C 2318684103 PTDMJWUAMIFAOX-IBGZPJMESA-N 468.556 3.790 10 10 JHCE Cc1ccc(CNC(=O)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)c(O)c1Br 2380739625 MLLMASIYBXMMBY-NSHDSACASA-N 455.271 3.925 10 10 JHCE Cc1cc(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)n1-c1ccccc1 11085370 XDMPGPYTMJQQOR-UHFFFAOYSA-N 483.609 3.993 10 10 JHCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCc4cccs4)[C@H]3C2)cc1 104922621 JPQXKFRIXITKSN-AOYPEHQESA-N 477.630 3.992 10 10 JHCE CSc1cc2c(cc1NC(=O)C(=O)NCCc1cc(C)n(-c3ccccc3)c1C)OCCO2 726283806 MAHUWKQONPWRLS-UHFFFAOYSA-N 465.575 3.885 10 10 JHCE CC[C@H](C)NC(=O)COc1cccnc1NC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858845868 SYGPDCRZORUCRI-HNNXBMFYSA-N 472.501 3.795 10 10 JHCE CCCOc1ccc(CNCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 1860719870 OKLOIIYSHNIPIR-UHFFFAOYSA-N 458.514 3.988 10 10 JHCE COc1cc(NC(=O)CNCc2cc(Cl)cc(Br)c2O)cc(OC)c1OC 1860721484 XBFXWVFOJNRPGJ-UHFFFAOYSA-N 459.724 3.562 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1861924671 CSWWERNNMWHSAM-UHFFFAOYSA-N 450.366 3.859 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011888 MIHOPAYQKKHKFL-NRFANRHFSA-N 482.968 3.915 10 10 JHCE CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867357204 YOXQYGWYPXFYBG-BJKOFHAPSA-N 481.597 3.513 10 10 JHCE CC1CCN(C(=O)COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)CC1 1870928028 GGMXXTNUJYOJGN-UHFFFAOYSA-N 490.604 3.834 10 10 JHCE CCN(CC)CCCN1C(=O)C(NCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165941 XMWKMMMUKHMAEL-UHFFFAOYSA-N 480.653 3.921 10 10 JHCE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc(OC)c1 1873421402 VUGJMZYSACHFAW-UHFFFAOYSA-N 488.588 3.865 10 10 JHCE CCOC(=O)c1c(C(F)F)nn([C@H](C)c2ccc(OC)cc2O)c1I 2079880646 PLJSXKVPNYDYCT-MRVPVSSYSA-N 466.222 3.926 10 10 JHCE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=CSC4=NC3=O)cc2Br)c1 2293594299 HZWOXCFTXRDKAJ-UHFFFAOYSA-N 485.319 3.926 10 10 JHCE O=C1NN(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2297309329 AAKAENXSDQJSQC-UHFFFAOYSA-N 453.248 3.869 10 10 JHCE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)c2ccccc21 2357911154 FLOUVNNDYRTNGB-NSHGMRRFSA-N 473.570 3.573 10 10 JHCE O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccc(C(=O)O)c1 1218446 JTJWJGKEHYEFOA-OVCLIPMQSA-N 477.361 3.987 10 10 JHCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 33912965 IQDVRQRXWTZUGJ-PDGQHHTCSA-N 457.512 3.802 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccccc2OC)[C@H]2CCS(=O)(=O)C2)cc1 54421776 NSSWWSKDZUJYBB-KNQAVFIVSA-N 474.623 3.525 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1C(=O)O 103040738 AZXOHZIZJJKWOH-CXUHLZMHSA-N 462.936 3.974 10 10 JHCE Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3cccc4nsnc34)cc2)n1 585420336 DIYNHCWXQFYQTM-UHFFFAOYSA-N 467.580 3.934 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N3CC=C(c4c[nH]c5ccc(OC)cc45)CC3)CC2)cc1 742947261 ABEKZNBRHIKNNH-UHFFFAOYSA-N 489.620 3.806 10 10 JHCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(OC)cc3C)sc2CCC(=O)O)cc1 1858034726 DLQXQLFYLUSQGT-UHFFFAOYSA-N 462.549 3.954 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008842 TVQKIKGTDVYIAL-IBGZPJMESA-N 499.365 3.575 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865027088 MMFVDVCHGHALSH-DEOSSOPVSA-N 482.540 3.945 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032387 BJJRLYDIWNDSER-QHCPKHFHSA-N 488.588 3.921 10 10 JHCE COCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C)n2)C[C@H]1C 1868480477 BPNNHRGFGWLLHG-HDICACEKSA-N 485.588 3.849 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969436 CCBHSZYLWDKMSP-UHFFFAOYSA-N 469.549 3.558 10 10 JHCE O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017356 PMFNWJZYBITQQN-UHFFFAOYSA-N 480.520 3.996 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(N3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2040469328 MOURTYROJDBRSD-UHFFFAOYSA-N 486.663 3.867 10 10 JHCE COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Cl 2294095475 SOJAIXMMKDXTKU-UHFFFAOYSA-N 477.300 3.828 10 10 JHCE CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2297500625 HSZUEBRGIXQGNU-GOSISDBHSA-N 477.007 3.829 10 10 JHCE CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 15010276 PHZGGHYHCRQGGL-UVTDQMKNSA-N 479.341 3.767 10 10 JHCE COC(=O)C1=CN(C2CC2)c2cc(N3CCN(c4cccc(Cl)c4)CC3)c(F)cc2S1(=O)=O 33283225 GZRICHYBSONWCK-UHFFFAOYSA-N 491.972 3.576 10 10 JHCE COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3ccc(F)cc3)CC2)cc1 33292940 DFJAOZQYXINUEB-UHFFFAOYSA-N 453.543 3.682 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 33482263 AMVOYPKBSPKLFW-VBKFSLOCSA-N 474.608 3.671 10 10 JHCE O=C(O)CCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 34704800 PRKCUTYQFSTOSA-FOWTUZBSSA-N 485.518 3.692 10 10 JHCE CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 40066819 VMLQAWDYTDRKRD-ODLFYWEKSA-N 468.604 3.890 10 10 JHCE CCOC(=O)c1sc2nc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2c1N)CN(C)CC3 40570124 MURXADKQHXZKGA-UHFFFAOYSA-N 457.552 3.736 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1 54310863 BSGVQMVBJDLKEG-LJQANCHMSA-N 479.986 3.924 10 10 JHCE CCOCCOc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 109643699 RRZLWTLBBUAOCB-UHFFFAOYSA-N 452.473 3.887 10 10 JHCE COCCN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 213186199 CDGKHHNWLCWYLE-ATVHPVEESA-N 471.535 3.782 10 10 JHCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@H]43)C[C@H]2C)cc1 504214212 QNAQXRSCTQFKEU-WOGVNNASSA-N 454.611 3.733 10 10 JHCE biogenic CC(C)c1nc(NC(=O)CN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)n[nH]1 1318258093 MBYDXZIXOMBONY-GHXNOFRVSA-N 466.386 3.531 10 10 JHCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccn3)c3ccccc23)SC1=S 1860827474 ZUZZCNGVXUTWQJ-LDADJPATSA-N 480.571 3.741 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012104 RCWABYIYDASHKM-HSZRJFAPSA-N 492.551 3.934 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015794 VKBDOTATUFEUGV-KRWDZBQOSA-N 488.466 3.832 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864017043 CZPUHAVQTSXGPI-OAQYLSRUSA-N 462.550 3.703 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864017241 IREUDSLEGLRTCF-YCRPNKLZSA-N 462.550 3.764 10 10 JHCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864017449 MQRRPWCUSNPUNQ-OAQYLSRUSA-N 490.560 3.743 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864020302 AGBIEKRAXGHABJ-WIBUTAKZSA-N 454.571 3.656 10 10 JHCE CC[C@@H](NC(=O)c1ccc(OC(C)=O)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867723226 FSYRPXNPFHNRMY-FTJBHMTQSA-N 494.636 3.530 10 10 JHCE C[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867801421 ABHPBKROEHHRSV-IIBYNOLFSA-N 476.543 3.632 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871603865 NZDSUDANCHOOBE-UHFFFAOYSA-N 475.641 3.869 10 10 JHCE CC(C)OCCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1873850936 GSUUVIFZRFEWTB-SANMLTNESA-N 460.578 3.720 10 10 JHCE O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 2297062239 ZMFHIAHZNDDXHL-UHFFFAOYSA-N 496.639 3.813 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 2297346510 RRSBXUWFDROBOQ-UHFFFAOYSA-N 469.592 3.722 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400493 NRKGDVNOZSTJOC-OAGGEKHMSA-N 472.636 3.616 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(C)(=O)=O 6101771 NPUNVBDLXHBESG-YPCMJIQLSA-N 469.544 3.728 10 10 JHCE CC(=O)NC1=NC(=O)/C(=C2/C(=O)N3c4c(cc(OC(=O)c5ccccc5)cc42)C(C)=CC3(C)C)S1 22745342 WXMQUGWAGHJNJT-VZCXRCSSSA-N 487.537 3.925 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3C)C(=O)N=C2O)cc(OC)c1O 34235354 RBMFEERXXVNTNP-QPEQYQDCSA-N 461.268 3.987 10 10 JHCE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2C(=O)CSC2=O)cc1 72413190 NFVGMKPSLBHOAN-LJQANCHMSA-N 456.955 3.779 10 10 JHCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 101621012 VGPDYRJTNNVDGZ-KAMYIIQDSA-N 459.358 3.939 10 10 JHCE CC(C)(C)OC(=O)C[C@H](NCc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12)C(=O)O 504174699 NLVYHRJWYJLFLS-KRWDZBQOSA-N 455.463 3.566 10 10 JHCE biogenic O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc2c(c1)OCO2 1083960192 RMEGPWSENJDTHP-UNOMPAQXSA-N 460.417 3.800 10 10 JHCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1858092362 OZCHHWWPAMQVDL-UHFFFAOYSA-N 457.379 3.515 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NC4CCCCCC4)n4ccccc34)CC2)cc1 1858223969 JIWOBWLQECIFJR-UHFFFAOYSA-N 475.593 3.758 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)Nc1ccc2c(c1)OCC(=O)N2 1860344729 BSKLERLGLGTPOJ-UHFFFAOYSA-N 491.507 3.544 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc4nc(C)[nH]c4c3)CC2)cc1 1862104408 GQTAJKCSOOSURA-HHHXNRCGSA-N 497.599 3.570 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCCOc3c(C)cccc3C)CC2)cc1 1862207001 JEXMHDLVOWQAJB-DEOSSOPVSA-N 497.661 3.721 10 10 JHCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864010936 QNWSCOHTUPVWNN-FQEVSTJZSA-N 480.952 3.863 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864017003 CBZUYUOJCFQSKV-OAQYLSRUSA-N 488.569 3.918 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865027036 DJVDNWFRLYFIIN-FQEVSTJZSA-N 468.941 3.808 10 10 JHCE Cc1nc2ccc(N3C[C@H](C(=O)N[C@@H](c4ccc(N(C)C)cc4)c4nccn4C)CC3=O)cc2s1 1866260158 VWOGVGJVAITAPY-KOSHJBKYSA-N 488.617 3.663 10 10 JHCE COc1cccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867384711 PPYTXQVAEXLIHU-DEOSSOPVSA-N 466.626 3.613 10 10 JHCE O=C(C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017022 LIUFCJXGLJBMQQ-HXUWFJFHSA-N 487.899 3.565 10 10 JHCE Cc1ccc([C@H](n2nc(C(F)F)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079046941 GWZLMLDLYJCURJ-ZDUSSCGKSA-N 461.250 3.928 10 10 JHCE C[C@@H](CNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)COCc1ccccc1 2136253741 PRNLLVFCHYUHJQ-PXNSSMCTSA-N 458.555 3.503 10 10 JHCE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OC 2294094919 DPENROZBDGNETR-UHFFFAOYSA-N 475.295 3.531 10 10 JHCE O=C1C(=Cc2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2296848577 HKKUXEYLVYOQOS-INIZCTEOSA-N 465.556 3.867 10 10 JHCE COc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(S(=O)(=O)CC(C)C)SC4=NC3=O)c2C)c1 2297346534 YAKMPESRWROVJE-UHFFFAOYSA-N 499.618 3.750 10 10 JHCE O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1(O[C@@H]2C=Cc2ccccc2)C(=O)c2ccccc2C1=O 2313621435 LWGSRAMWSPNCKD-DNVJHFABSA-N 494.459 3.631 10 10 JHCE CCOc1cc(C=C2SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C2=O)ccc1OC 2323809243 OZPXPMPUXCHPBC-MRXNPFEDSA-N 459.545 3.697 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1 1125137 FXCGQHBSLDZMEG-LDADJPATSA-N 453.252 3.609 10 10 JHCE COc1cccc(OCCOc2c(OC)cc(/C=C3/C(=N)N4OC(C)=CC4=NC3=O)cc2OC)c1 20236554 ZKUILCZFSOESEF-IZBVVJPSSA-N 479.489 3.621 10 10 JHCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 27157401 WXWARFKGXIAPOX-UHFFFAOYSA-N 484.666 3.800 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 47152338 QUPWOUUJSCDMPI-FDIDITGRSA-N 485.543 4.000 10 10 JHCE COc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 96822603 SUWHXXVLZSAEKR-FYJGNVAPSA-N 467.547 3.515 10 10 JHCE Cc1cc(C(=O)COC(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc(Br)cc1 729927284 DXVUOLMDMXWFJU-UHFFFAOYSA-N 485.334 3.760 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015075 JCMUYTNWRLZCMY-OAHLLOKOSA-N 494.857 3.786 10 10 JHCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865028671 XSHVDJJWGPCXNK-HXUWFJFHSA-N 466.925 3.562 10 10 JHCE CC(=O)Oc1ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867717203 QUNCLKXGAZEDDZ-VWLOTQADSA-N 494.636 3.530 10 10 JHCE CCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873164782 RSQXGZKWANDLFL-UHFFFAOYSA-N 478.637 3.676 10 10 JHCE COc1ccc([C@H](n2nc(C(F)F)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079863140 RCWQASGQOIZKDE-ZDUSSCGKSA-N 477.249 3.628 10 10 JHCE CCOc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3OC)C(=O)NC2=S)cc1 2297328646 SKAJEVSHCOCZCM-UHFFFAOYSA-N 461.337 3.688 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 2313557484 DTIZNGIGBYXCBO-UHFFFAOYSA-N 460.417 3.800 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1OC 2323790559 QTPCIKIFGSLASC-UHFFFAOYSA-N 476.532 3.770 10 10 JHCE O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 8443038 AAKAENXSDQJSQC-BOPFTXTBSA-N 453.248 3.869 10 10 JHCE CN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 33131382 QHJJBMRNXQEHCQ-UHFFFAOYSA-N 450.004 3.901 10 10 JHCE CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)NC(C)C)cc3)C(C(=O)OC)=C2C)cc1 33332646 SIEDJIAESRCITI-HZHRSRAPSA-N 478.545 3.866 10 10 JHCE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)cc1 59415913 AKTDOMMTCABGMC-FSSWDIPSSA-N 482.448 3.598 10 10 JHCE O=C1/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1C1CCCC1 102481438 RQMOQQNXOQFKBS-YFQSIASUSA-N 492.626 3.984 10 10 JHCE COCCCNC(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586692764 OPZMJHSWTZVLBX-UHFFFAOYSA-N 457.486 3.872 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)CC2)cc1 746725229 CZMAODWYWCMEHG-QHCPKHFHSA-N 474.552 3.795 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCO)CC1 1286841916 UDQRWJQQBMEBQQ-UHFFFAOYSA-N 478.641 3.962 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1722756333 KYPPESROBOXCGP-NRFANRHFSA-N 456.610 3.569 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc3nc(O)oc3c2)nc1-c1ccc2c(c1)CCC(=O)N2 1859573634 OZRGRTKWCBTYKX-UHFFFAOYSA-N 456.505 3.651 10 10 JHCE Cc1nc2scc(C)n2c1CNCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860710750 ZCTGTBBLVXIRSW-UHFFFAOYSA-N 458.543 3.906 10 10 JHCE COc1ccc2c(c1)c(CNCC(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)cn2C 1860720987 BARUDCKVKBAXKT-UHFFFAOYSA-N 453.498 3.691 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3ccc(Cl)cc3)CC2)cc1 1861959863 ZLHNNHKVADWNTJ-SANMLTNESA-N 492.019 3.967 10 10 JHCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864013150 QZFCVJUUTXONCN-HSZRJFAPSA-N 488.588 3.885 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2cccc3c(Br)n[nH]c23)c2nccn2C)cc1 1866211550 LZYNCQGUGRAUOY-KRWDZBQOSA-N 453.344 3.644 10 10 JHCE Cc1ccccc1C(=O)NC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867898747 PXHVLEBRIBALPO-DEOSSOPVSA-N 450.627 3.913 10 10 JHCE COc1ccc(N2CCN(c3cc(N(C)C4CCN(C)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867970008 PKWFYAJSBWWGFY-UHFFFAOYSA-N 452.647 3.640 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCO)cn3Cc3ccc(Cl)cc3)CC2)cc1 1870362218 NQWDCQFESLOYKB-UHFFFAOYSA-N 498.023 3.642 10 10 JHCE CCN=c1nc(Nc2ccc(Br)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871580478 YOOAOGJKPPRMNF-UHFFFAOYSA-N 498.429 3.875 10 10 JHCE O=C1C[C@@H](N2C(=O)C(=Cc3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(F)cc1 2040565469 SSNBKXTVRXTIGT-QGZVFWFLSA-N 451.504 3.840 10 10 JHCE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C 2294199321 RWWKLMYFWHBCRS-UHFFFAOYSA-N 494.504 3.981 10 10 JHCE CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)C(=CNc2ccc(C(=O)O)cc2)SC1=S 2294778313 WMNZLJRWPHYJAE-KRWDZBQOSA-N 456.545 3.673 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(OC)c1OC 2296052882 OHUXFKMNJQVBTK-UHFFFAOYSA-N 464.952 3.912 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C=Cc3ccc(F)cc3)CC2)cc1 2328576501 VLLSUQIRBOUUBK-HHHXNRCGSA-N 487.575 3.924 10 10 JHCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCO)nc3ccc(C)cn3c2=O)SC1=S 33492875 SGSTVYFAPZYAJE-UWCCDQBKSA-N 474.652 3.825 10 10 JHCE CCCCN1C(=O)/C(=C\c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 33796975 CIKKWTIGMWOAPB-SAPNQHFASA-N 460.625 3.923 10 10 JHCE CCOC(=O)c1ccc(OCc2noc3c(CN4CCC(C(=O)O)CC4)c(O)ccc23)cc1 94993350 PTUQSUNVTODGPZ-UHFFFAOYSA-N 454.479 3.586 10 10 JHCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)O)cc1 105571465 JGBDJEYXNWULDG-SIUCFOQUSA-N 486.491 3.840 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 206936251 GGQWRKOSIVHRHH-ZHZULCJRSA-N 483.615 3.788 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1OCC(=O)O 210458177 NIAZGKPRKKPEBD-ODLFYWEKSA-N 472.544 3.913 10 10 JHCE O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 727476063 KPNYBTSFFRRJLI-HSZRJFAPSA-N 486.975 3.973 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(F)cc4C)cn3)CC2)cc1 1858429007 DGONBYHMQBIPKD-UHFFFAOYSA-N 456.543 3.665 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)CCCOc3ccc4ccccc4c3)CC2)cc1 1862221348 IEFUJENPECKKKM-OAQYLSRUSA-N 475.589 3.861 10 10 JHCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864013101 QCFSRUGSOLJTAL-OAQYLSRUSA-N 494.979 3.922 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCOC(C)C)C2=O)cc1 1873167312 AQXLCPKRSIAMOX-UHFFFAOYSA-N 466.626 3.530 10 10 JHCE CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2ccccc21 2296727017 HOPDFGQTZQJDCT-UHFFFAOYSA-N 454.573 3.884 10 10 JHCE O=C(O)CCCCCNC(=O)CCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314827292 AVIFQTDXNYWXHZ-UHFFFAOYSA-N 485.425 3.802 10 10 JHCE C[C@H](NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)C(=O)O 15045025 SWSYHEVRUMICSC-CMHHUMAZSA-N 485.425 3.800 10 10 JHCE CCCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3ccccn3c2=O)SC1=S 35174612 FFXWWLIGAKTRBD-BMRADRMJSA-N 460.625 3.924 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C)cc3C)c3ccco3)CC2)cc1 38607156 XECNRDJAXOEKAM-HSZRJFAPSA-N 469.607 3.747 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c(C)n1-c1ccccc1 62694428 PTDRTXKWSKESLD-UHFFFAOYSA-N 479.646 3.857 10 10 JHCE CCC(=O)N(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cc(C)ccc1OC 586283662 ZMJHRGMCNZOMFU-UHFFFAOYSA-N 463.511 3.911 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3csc(C)n3)n2CCCSc2nccs2)C1 1508198410 SJOMJPMHXOAZRC-QGZVFWFLSA-N 491.712 3.577 10 10 JHCE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)cc1 1705711061 ZALZOFCDDOJIDM-HXUWFJFHSA-N 474.675 3.575 10 10 JHCE CCC[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861922607 IBFXOMRBDOIAIC-NRFANRHFSA-N 463.500 3.961 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3OCC(C)C)CC2)cc1 1862054936 BVWRSLCIHMKJMK-XMMPIXPASA-N 465.594 3.683 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864022300 LHUYEFMICHCMEM-NORZTCDRSA-N 480.487 3.723 10 10 JHCE CC[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852685 PSCXFLPMLAFYDK-ZEQRLZLVSA-N 454.590 3.744 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](CO)C4)nc(-c4ccccc4)n3)CC2)cc1 1867972179 PIWYEXPSOXJJAS-NRFANRHFSA-N 459.594 3.688 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCC(=O)c3ccc(C)cc3C)C(C)C)CC2)cc1 1868932293 ZBFADGNDMHNMHV-MHZLTWQESA-N 479.621 3.765 10 10 JHCE CCN(CC)c1ccc(-c2nc3cc(C(=O)N4CCN(c5ncccn5)CC4)ccc3[nH]2)cc1 1873505999 PSFXPBSBVZOXHL-UHFFFAOYSA-N 455.566 3.829 10 10 JHCE CCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1875207535 VKFNWLTWLLLMKP-UHFFFAOYSA-N 450.587 3.880 10 10 JHCE COC1(CCNCc2cc(Br)cc(F)c2O)CN(C(=O)OCc2ccccc2)C1 2111371896 QGAPMKKVIHKCOT-UHFFFAOYSA-N 467.335 3.811 10 10 JHCE Cc1ccc(NS(=O)(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 2297512377 FEQYHASANUSOAO-UHFFFAOYSA-N 490.541 3.683 10 10 JHCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 2313652907 DAYSWZLXIALNCX-UHFFFAOYSA-N 463.920 3.854 10 10 JHCE CCOC(=O)CCCCCN1C(=O)C(=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 2314754990 LSJAJZYLLMMJFM-UHFFFAOYSA-N 454.526 3.634 10 10 JHCE CCCC[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328578365 USVHUHQBXKILKF-XMMPIXPASA-N 480.565 3.640 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C=Cc3cccc(Cl)c3)CC2)cc1 2330361613 DFSVGJVJROGDKV-HSZRJFAPSA-N 488.053 3.949 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)Nc1ccccc1-3 21787957 NZCGPVCMRGLZOQ-QFIPXVFZSA-N 466.497 3.621 10 10 JHCE O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 40839754 RYNCIESQFUGRDI-YPKPFQOOSA-N 494.779 3.971 10 10 JHCE COc1ccc(-n2c(C)cc(C(=O)COC(=O)/C(=C\c3ccccc3)n3nnnc3C)c2C)cc1 96506668 OPGCUDFPEONEHK-BUVRLJJBSA-N 471.517 3.822 10 10 JHCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526468519 ICICJWUSTJBSNZ-HSZRJFAPSA-N 477.469 3.959 10 10 JHCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526625278 QEQISGUYEONIAK-DEOSSOPVSA-N 461.470 3.879 10 10 JHCE Cc1cc(C(=O)CN(c2cccc3c2C(=O)c2ccccc2C3=O)S(C)(=O)=O)ccc1F 586186339 UKGSWDDMTDZTJD-UHFFFAOYSA-N 451.475 3.558 10 10 JHCE CCOC(=O)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1 586194634 PUYRIDRRDJWCKU-UHFFFAOYSA-N 463.511 3.611 10 10 JHCE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705801904 VQXSIKUWHQFECF-HSZRJFAPSA-N 462.598 3.660 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(Cc4ccc(C)cc4)c(O)n3)CC2)cc1 1858519036 YHHCUQXTQQFSQN-UHFFFAOYSA-N 478.618 3.839 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc1 1862234939 DEUXAHCDFPRYBR-UHFFFAOYSA-N 489.416 3.811 10 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COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871548695 QJBBMVOGSZSUGT-UHFFFAOYSA-N 475.641 3.869 10 10 JHCE O=C1C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2053498050 GQICLGQYGMSVHW-SFHVURJKSA-N 492.626 3.729 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296704019 JTSOONOKRIUKBG-OAGGEKHMSA-N 472.636 3.616 10 10 JHCE O=C(O)CCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2314399629 AFVCYBODFBUGTE-UHFFFAOYSA-N 469.569 3.522 10 10 JHCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)c1)C(=O)O 2314926434 JAZSXQPBBKZZTC-MRXNPFEDSA-N 487.511 3.731 10 10 JHCE O=C(CSCCc1ccccc1)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 12928986 KHFYQCDPFNNSAM-DEDYPNTBSA-N 486.640 3.709 10 10 JHCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCCO)nc3ccccn3c2=O)SC1=S 33492863 NMPGELWVUAQIIT-SUCHYCSPSA-N 460.625 3.516 10 10 JHCE COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2)cc1OC 96450589 LJEAPSXDSYCODK-HTYYESGYSA-N 482.543 3.863 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@@H](NC(C)=O)CCO4)cs2)cc1 170549512 UYBKAQHWTJUHCG-SFHVURJKSA-N 459.549 3.579 10 10 JHCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 726566346 VQQXXSWOCRPUIL-NRFANRHFSA-N 459.493 3.804 10 10 JHCE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1705692273 DXSZDQUCCZQYBU-LJQANCHMSA-N 462.392 3.764 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868943736 QPEZFAQNGQNJFZ-NLFFAJNJSA-N 499.677 3.784 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4OC)n(C(C)(C)C)n3)CC2)cc1 1869971082 WVQDOYOMFUMMGY-UHFFFAOYSA-N 464.570 3.629 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873164384 ZELKDCPNYKTHGG-UHFFFAOYSA-N 463.541 3.954 10 10 JHCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1873166490 AZCPQHLSPGIPFW-UHFFFAOYSA-N 490.991 3.753 10 10 JHCE COc1ccc([C@@H](C2CCC2)n2nc(C3CCC3)c(C(N)=O)c2I)c(O)c1 2080024825 LCTHCCISGRTESQ-GOSISDBHSA-N 481.334 3.958 10 10 JHCE CSc1ncc(CNS(=O)(=O)c2ccc(Br)cc2Br)s1 2284723271 GDRLGYGHGPNJKY-UHFFFAOYSA-N 458.222 3.869 10 10 JHCE O=C(COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccccc1 2294199220 GCYCVNIISWHJHK-UHFFFAOYSA-N 475.501 3.675 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3c(C)cccn3c2=O)SC1=S 2296540235 FGDBJDXETGOURP-UHFFFAOYSA-N 485.679 3.536 10 10 JHCE CCc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)c2C)cc1 2297345719 VMSJQTQHNZJKHV-UHFFFAOYSA-N 469.592 3.668 10 10 JHCE Cc1c(N2C(=O)C(=Cc3ccccc3OCCC(=O)O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314934448 ZVJPSXNKBJWFHJ-UHFFFAOYSA-N 495.582 3.744 10 10 JHCE COc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1OC 14479640 LWONUWQYAKTPJI-DMEDLEQBSA-N 470.591 3.988 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 40313893 CVYTTXPYRIXVSD-PKTZIBPZSA-N 481.058 3.615 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 40314894 ZUCJADRSVYGXME-JWQCQUIFSA-N 474.667 3.579 10 10 JHCE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NCc1cccc(Br)c1O 389297498 KTAZCNRWGZSFGL-UHFFFAOYSA-N 474.396 3.662 10 10 JHCE C=C(Br)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@@H](C#N)C1 1705681915 KOKYXVULBZDHDC-IBGZPJMESA-N 467.371 3.990 10 10 JHCE COc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)cc1 1860904996 GLVPUNLNTZRXAX-UHFFFAOYSA-N 472.589 3.972 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3cccc(Cl)c3)CC2)cc1 1862139269 KFXVMYYLQSZNIL-QMZDIEEXSA-N 453.970 3.702 10 10 JHCE CCCC[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862244830 TZAXBPRKXGWJGP-HSZRJFAPSA-N 474.001 3.751 10 10 JHCE CCC[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862264917 ZKWIRUJWIQTARE-RUZDIDTESA-N 460.578 3.733 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010412 MNXZMHWFSOSOSO-JOCHJYFZSA-N 486.528 3.840 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)c2nccn2C)cc1 1865920203 URFDQDKFBMRNPZ-AREMUKBSSA-N 486.572 3.756 10 10 JHCE NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 1866120831 MMODTBBSUZOZLD-JOCHJYFZSA-N 462.506 3.560 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(O)ccc(Cl)c3c2=O)N2CCCCC2)cc1 1866466288 ALQBNQBFOYPQJD-FQEVSTJZSA-N 468.985 3.910 10 10 JHCE CCC[C@@H](NC(=O)c1sc(C)nc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868977125 VQKKMXHOQCCZHW-HXUWFJFHSA-N 458.628 3.831 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4)n(C(C)(C)C)n3)CC2)cc1 1869970743 PAHLPBMYHMZMJZ-UHFFFAOYSA-N 462.598 3.940 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCc3ccccc3)C2=O)cc1 1873165490 LFLBGJAOVYYYOL-UHFFFAOYSA-N 470.617 3.958 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN3CCOCC3)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 1873169668 FPCAGVNZVOILIY-CPJSRVTESA-N 490.648 3.675 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 2040498347 IBPCHNRPCTYOCO-UHFFFAOYSA-N 470.576 3.527 10 10 JHCE COCCCN1C(=O)C(=Cc2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 2296849572 VOHLJYXDYWMYJI-UHFFFAOYSA-N 483.571 3.733 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1[N+](=O)[O-] 2297349805 HMJVMHXFMSKZGI-UHFFFAOYSA-N 471.516 3.944 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCOCC3)nc12 2314414197 SDVACWVYLBYDJN-QGZVFWFLSA-N 492.626 3.802 10 10 JHCE CCCOc1ccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 2323840812 ZFSBGPJLVUMXNL-UHFFFAOYSA-N 492.644 3.575 10 10 JHCE Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)c1 33478964 JQPZHTGURPMPEV-QFIPXVFZSA-N 458.624 3.779 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccccc3SC)c3ccco3)CC2)cc1 38619746 AXGIAOKKVGLLMQ-JOCHJYFZSA-N 494.617 3.628 10 10 JHCE Nc1ccc(N(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c2ccccc2)cc1 243229397 KMAFUBLKSLTAAG-UHFFFAOYSA-N 450.292 3.992 10 10 JHCE Cc1nn(C)c(C)c1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860344721 AWAKGBXSSRALEQ-NDEPHWFRSA-N 496.615 3.845 10 10 JHCE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015132 JZKIYHQDDWTYSC-KRWDZBQOSA-N 488.466 3.769 10 10 JHCE COC(=O)c1c(NC(=O)[C@H](N)CCCCN)sc(C)c1-c1ccc(Br)cc1 1865999843 VAIPPJOBDGWFJC-CQSZACIVSA-N 454.390 3.667 10 10 JHCE C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867370977 UUHYIMSOJXKMBL-FDDCHVKYSA-N 457.018 3.868 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4cccc(OC)c4)cc3)CC2)cc1 1872716268 SMCOTEQRZXGRNG-UHFFFAOYSA-N 468.575 3.794 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873168171 LJRFRYJYXVRLIX-QHCPKHFHSA-N 499.567 3.872 10 10 JHCE C[C@H]1CN(C2=NC(=O)C(=C3C(=O)N(Cc4ccc(F)cc4)c4ccccc43)S2)C[C@H](C)O1 2040394718 XIDWRBAQWAURAF-GJZGRUSLSA-N 451.523 3.822 10 10 JHCE CC[C@H](NCCn1cc(I)cn1)c1cc(Br)ccc1O 2153498344 DHYTZHFTNHXFSC-ZDUSSCGKSA-N 450.118 3.697 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C(=N)N21 2297345591 KIGBCCYTYDMLMD-UHFFFAOYSA-N 488.978 3.930 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)c(O)c(Br)c1 2313558081 SDYCOJHXVJIIIY-UHFFFAOYSA-N 484.075 3.723 10 10 JHCE Cc1c(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cnn1-c1ccc(=O)[nH]n1 12593857 JXMPFXHVNTWHJK-MRXNPFEDSA-N 479.924 3.753 10 10 JHCE COCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 33389008 QTXKEFMOTWNNJH-LWFDYCOSSA-N 466.588 3.715 10 10 JHCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 33458407 QZPUUYSVUCYATC-FFZOFDPPSA-N 484.647 3.760 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N21 96460053 FVBBLEIOEIABIU-FCASDSMHSA-N 492.941 3.679 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1 742927077 HIDJHRVPIWLCSM-UHFFFAOYSA-N 454.571 3.594 10 10 JHCE CC(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCSc2nccs2)CC1 1301704666 QUPMMBBILHLOQU-RTBURBONSA-N 492.715 3.894 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCOC(F)F)CC1 1760607923 ZKZOMNRYGKXIKX-UHFFFAOYSA-N 472.540 3.650 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864015666 UYCIZNIYPIDHHU-FQEVSTJZSA-N 462.550 3.838 10 10 JHCE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)C2=O)cc1 2314833478 SKYMAONUJSVPPG-KRWDZBQOSA-N 456.520 3.758 10 10 JHCE COc1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1 2314837886 XZGFDFNVVKDPPQ-ZDUSSCGKSA-N 458.561 3.941 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2314933407 BCNQALMGDKGJLW-UHFFFAOYSA-N 480.470 3.532 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 20208563 DRYQNBFXUTZFIW-VPOOPXLYSA-N 475.983 3.759 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 33369009 XWEKJOZYUDRDAT-CAPFRKAQSA-N 492.626 3.747 10 10 JHCE COc1cc2c(cc1OC)CN(C(=O)Nc1ccc(C(=O)NCCc3ccc(O)c(O)c3)cc1)CC2 1860356075 OBJUSVJLTFBULR-UHFFFAOYSA-N 491.544 3.678 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)sc(C)c1-c1ccc(OCC)cc1 1860762839 SVQNLUFSLQXTOO-QAQDUYKDSA-N 474.579 3.657 10 10 JHCE CC[C@@](C)(NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862076605 FCQGDHDYRDTPIV-HHHXNRCGSA-N 475.593 3.503 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)/C=C/c3cccc(Cl)c3)CC2)cc1 1862139268 KFXVMYYLQSZNIL-LZMFZKJZSA-N 453.970 3.702 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864018288 HTPIRSCUELXHBA-NRFANRHFSA-N 480.540 3.655 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2c[nH]c3c(F)ccc(F)c3c2=O)N2CCCCC2)cc1 1866421540 YSWDNGPZFNHCAR-NRFANRHFSA-N 454.521 3.829 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4OC)n(-c4ccccc4)n3)CC2)cc1 1869970098 FIWHXPVCUGVOBU-UHFFFAOYSA-N 484.560 3.863 10 10 JHCE CCOC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871149554 TVTKIQLGJPHFPK-UHFFFAOYSA-N 464.566 3.708 10 10 JHCE COc1ccc(N2CCN(c3nc(Nc4cccc([N+](=O)[O-])c4C)ncc3[N+](=O)[O-])CC2)cc1 1871312029 YWSLCKWPJCRGGO-UHFFFAOYSA-N 465.470 3.680 10 10 JHCE CCc1ccc(Nc2nc(=NCc3ccccn3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584879 DNAJOKTZKFATMO-UHFFFAOYSA-N 496.619 3.942 10 10 JHCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccccc2)C1=O 1873165710 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484.628 3.551 10 10 JHCE CCNC(=O)c1ccc(CSc2nc(COC)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)o1 36040936 JBWXBTAWAGNJCK-UHFFFAOYSA-N 497.621 3.593 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)CC2)cc1 1858119179 QJATVXGMNBHDTC-UHFFFAOYSA-N 480.609 3.715 10 10 JHCE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCNCc1cccc(OCC)c1O 1860710981 GAJOOEGMBDBYJP-UHFFFAOYSA-N 487.597 3.543 10 10 JHCE COc1ccc(Cl)cc1C(=O)N[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867602366 SOIUIXYGEYRCPT-WZONZLPQSA-N 487.044 3.876 10 10 JHCE CC[C@@H](NC(=O)CCCc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868954246 OVTUWCFIMZZBMM-HSZRJFAPSA-N 458.002 3.915 10 10 JHCE COc1ccc(C=C2SC(=S)N(CC(=O)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1 2297480308 GKVKYUKBPLIPKH-UHFFFAOYSA-N 469.563 3.876 10 10 JHCE COCCN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)NC1=S 2297560251 GQDINBULKNWSMK-UHFFFAOYSA-N 471.941 3.755 10 10 JHCE O=C1C(=CN2CCOCC2)SC(=S)N1c1cc(Br)cc(Br)c1 2313608936 ATDUIPOJPROQGU-UHFFFAOYSA-N 464.204 3.750 10 10 JHCE COc1ccc(-c2nonc2NC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)c(C)c1 2314829348 ZYEJIFRQUPGKEH-UHFFFAOYSA-N 472.573 3.955 10 10 JHCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1O 2314837011 MXSDSQROGKIOSU-ZDUSSCGKSA-N 458.561 3.946 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1OC 16909866 ZYBBLENTZPDYGM-XDHOZWIPSA-N 459.545 3.611 10 10 JHCE Cc1ccc(-n2cc3c(N4CCC[C@H](C(=O)NCc5ccc(N(C)C)cc5)C4)ncnc3n2)cc1 33273808 JTCXGNDBLCQMPC-NRFANRHFSA-N 469.593 3.723 10 10 JHCE CCc1ccc(OCC(=O)NCCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 62050652 XJXMQWJHTBPKJU-XSFVSMFZSA-N 456.589 3.654 10 10 JHCE COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Br)c(Cl)c4)C3=O)CC2)cc1 104737953 GBJDYJYJZNAYSK-LJQANCHMSA-N 478.774 3.565 10 10 JHCE O=C(CN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F 210672627 MATAZZXGRLWTFD-VIZOYTHASA-N 454.451 3.957 10 10 JHCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)c1O 226706366 ALYBGVKIDFUDIF-XQNUDUSMSA-N 456.564 3.685 10 10 JHCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@H]2C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@H]21 248155132 LQTBDMCZZGJAFW-RAHFBHDRSA-N 486.952 3.682 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(-n4c(C)cc(C=O)c4C)c3)cc2)CC1 1296400453 RTCVVEMKVYJIBL-UHFFFAOYSA-N 458.562 3.505 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCCOc3ccccc3Cl)CC2)cc1 1862226438 PPMOQIXDWMOIRF-QHCPKHFHSA-N 486.012 3.847 10 10 JHCE CC[C@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867295909 CFOYNTGXYMJBFZ-IZZNHLLZSA-N 494.636 3.530 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cccc4C)cn3C[C@H](C)O)CC2)cc1 1870490476 XLYPKGWRSFNZMY-QHCPKHFHSA-N 491.632 3.756 10 10 JHCE CN1CCc2cc([C@H](O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1917177953 TVNQIMQKIWOQTA-RPBOFIJWSA-N 458.514 3.704 10 10 JHCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 2296757613 AUUKDUDJTFXMKU-UHFFFAOYSA-N 466.475 3.617 10 10 JHCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 2296879895 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CC[C@@](C)(NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868934029 YQWMTZCNVZHTLG-AREMUKBSSA-N 497.546 3.611 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C4CCCC4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970369 OQOGSMLPGOEODK-UHFFFAOYSA-N 476.581 3.740 10 10 JHCE CCCCCOC(=O)COc1cn(CCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870420203 JJIICFMISCJXAX-UHFFFAOYSA-N 485.625 3.701 10 10 JHCE CCCCOc1cn(Cc2ccncc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870660456 ZXMSJJYMHVGFOB-UHFFFAOYSA-N 462.594 3.801 10 10 JHCE CC(C)(C)OC(=O)N1[C@H](CNCc2cc(Cl)cc(Br)c2O)C[C@@H]2COC[C@H]21 1966038524 UZKLNARWAJRCIE-IVMMDQJWSA-N 461.784 3.922 10 10 JHCE O=C(COc1ccc(Cl)cc1Cl)NN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S 2297296780 MCBNGEDHCJPMGO-UHFFFAOYSA-N 480.354 3.627 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc(Br)c1OC 2314767748 HWNXLTKOPNCPLT-UHFFFAOYSA-N 460.371 3.621 10 10 JHCE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314837820 XCPZRANJWUURLU-LLVKDONJSA-N 458.477 3.731 10 10 JHCE 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CCOC(=O)N1CCN(C(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)CC1 2296405709 IVJSQWUJXWMAAY-UHFFFAOYSA-N 467.473 3.609 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296540683 FGWIUVBCCCBLDW-GOSISDBHSA-N 480.615 3.758 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2296716180 FFOALXMQEAQQJL-IAGOWNOFSA-N 486.663 3.805 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1OCC(=O)O 16915776 ZQKMHXMFQSGZOM-XDHOZWIPSA-N 459.545 3.698 10 10 JHCE CC1CCN(C2=NN3C(=N)/C(=C\c4cccn4CCOc4ccccc4)C(=O)N=C3S2)CC1 32980976 XRWNVMNRFBHSTG-QFDSEOLMSA-N 462.579 3.876 10 10 JHCE COc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4N4C(=O)c5ccccc5[C@H]34)CC2)cc1 606680384 OTVCCKIGGSYSOC-HHHXNRCGSA-N 496.567 3.549 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3cccc(NC(=O)C4CCCCC4)c3)CC2)cc1 742919059 BIUKKVKYUSSLFC-UHFFFAOYSA-N 464.610 3.766 10 10 JHCE CCC[C@@H](NC(=O)/C=C/c1ccc(OCC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862159414 BNVOWFLGDPGMGH-AVRDVDJQSA-N 495.620 3.749 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865028928 BNEHBVKSTAAYIM-JOCHJYFZSA-N 476.577 3.858 10 10 JHCE CC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826318 CFGIZEFEVKHIKV-JWQCQUIFSA-N 450.627 3.913 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(CCN(C)C)C2=O)cc1 1873421245 NMRQSEFMMQKIBW-UHFFFAOYSA-N 472.545 3.576 10 10 JHCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873422318 QQPGHHSAJRZDRK-UHFFFAOYSA-N 486.572 3.821 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(OC)c(Cl)c3)CC2)cc1 1873535281 RMJVYAUZDPTFEH-UHFFFAOYSA-N 477.952 3.778 10 10 JHCE CCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1874642307 AQWSXCKRQVWDBN-RUZDIDTESA-N 462.594 3.743 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCCOCc1ccccc1 2136254109 TZTCGOJTWQBVDI-FQEVSTJZSA-N 458.555 3.647 10 10 JHCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 2296938583 VWATZUZBTSAAIS-UHFFFAOYSA-N 492.576 3.887 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1O 2297341683 QQPBZEDWBSPGTH-UHFFFAOYSA-N 459.296 3.837 10 10 JHCE O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1cn(CC(=O)N2CCCC2)c2ccccc12 2297365814 SYQXDPGPZMHNRB-UHFFFAOYSA-N 490.947 3.579 10 10 JHCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Br)o1 2313560699 CRLSODJFYBMCFG-UHFFFAOYSA-N 456.115 3.636 10 10 JHCE COC(=O)C1=C(C)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCC(=O)NCc2ccco2)cc1 2313578052 BEWPOCDDFWFPCI-UHFFFAOYSA-N 490.487 3.991 10 10 JHCE CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 20208631 GUGKSKZPXCBETM-XYTBZZNTSA-N 487.519 3.502 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(F)cc3C)c3ccco3)CC2)cc1 38598289 BXMBHLKWHVFZFH-QFIPXVFZSA-N 473.570 3.578 10 10 JHCE O=C1/C(=C\c2ccccc2OC(F)F)SC(=S)N1CC(=O)N(CCO)c1ccccc1 210496488 FXGMSFLBTZDUIZ-SFQUDFHCSA-N 464.515 3.515 10 10 JHCE CC(C)(C)OC(=O)N1CCN(CCCNCc2cc(Cl)cc(Br)c2O)CC1 708111270 OPUKRMPYCQUXCQ-UHFFFAOYSA-N 462.816 3.841 10 10 JHCE 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475.589 3.905 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(Br)cc1OC 2294353246 JJTGXNHALGIFGJ-UHFFFAOYSA-N 451.317 3.651 10 10 JHCE CCN1C(=O)C(=Cc2c(NC3CC(C)(C)NC(C)(C)C3)nc3ccc(C)cn3c2=O)SC1=S 2297497511 DLHNKKBWYAGJTG-UHFFFAOYSA-N 485.679 3.945 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2454607 KEMCHWFDBCLIDZ-CXUHLZMHSA-N 462.936 3.974 10 10 JHCE CCCCOc1ccc(C(=O)NC(=S)Nc2cc(OC)c(OC)cc2N2CCOCC2)cc1 20496620 JNUMAHIWYPJAGJ-UHFFFAOYSA-N 473.595 3.846 10 10 JHCE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 97464750 VPLBNWSVPNMYSO-TYJAPOHBSA-N 494.642 3.896 10 10 JHCE N=C1/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 103120279 LLRGWUDKHJMHDY-SZRLJQQQSA-N 491.529 3.667 10 10 JHCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1 208526024 OGFHVJILYHGTAJ-DEDYPNTBSA-N 485.363 3.693 10 10 JHCE CCC[C@H](NC(=O)c1sc(C)nc1C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868977124 VQKKMXHOQCCZHW-FQEVSTJZSA-N 458.628 3.831 10 10 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CCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873576291 RUMGGJRXNUMZKN-UHFFFAOYSA-N 450.587 3.562 10 10 JHCE COC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 2294235332 BSPMONKYOWYFAP-UHFFFAOYSA-N 488.352 3.952 10 10 JHCE Cc1ccc(C(=O)NN2C(=O)C(=C3C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 2297329483 YTEVSVVWEPLGEC-UHFFFAOYSA-N 474.361 3.626 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(C(=O)OC)cc1 2313682572 GGAVDTXJKUSSSW-UHFFFAOYSA-N 464.503 3.735 10 10 JHCE COCCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 2314414568 CYYLBIMHOLEFFQ-UHFFFAOYSA-N 472.636 3.923 10 10 JHCE COc1cc(C=C2SC(=S)N([C@@H](CCSC)C(=O)O)C2=O)cc(Br)c1O 2323808615 BRYUCGKZNXZWKR-JTQLQIEISA-N 478.411 3.571 10 10 JHCE Cn1nc(Br)c(Br)c1CNCc1cccc(Br)c1O 2339028791 IFNJCCMWMNNOQL-UHFFFAOYSA-N 453.960 3.703 10 10 JHCE C[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(N2CCOCC2)cc1 109190978 UHQZEVZGWAYRRP-NTKDMRAZSA-N 459.546 3.561 10 10 JHCE COCCN1C(=O)/C(=C/c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C(=O)NC1=S 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10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccccc2F)SC1=S)Nc1ccc(O)cc1C(=O)O 2297482103 BOGZBNXKFQXBLL-UHFFFAOYSA-N 460.508 3.850 10 10 JHCE COC(=O)CCCCCN1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S 2314754467 SUGHRSGRSPUHLY-UHFFFAOYSA-N 483.409 3.730 10 10 JHCE O=C(CN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 2314827525 GWOWRKQATAVUDT-UHFFFAOYSA-N 493.360 3.693 10 10 JHCE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(OC)cc4)SC3=S)C2=O)cc1 2314832228 CMCNCOWRFPVGBQ-GOSISDBHSA-N 468.556 3.627 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3cccc(O[C@@H](C)C(=O)O)c3)SC2=S)cc1OC 2314930729 IKXSDKJEQGUQNZ-AWEZNQCLSA-N 473.572 4.000 10 10 JHCE COc1ccc(N2CCN(c3cc(NCCO)c4c5c(onc35)-c3ccccc3C4=O)CC2)cc1 9612275 IUFKJRCQMDLZJB-UHFFFAOYSA-N 470.529 3.779 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC 40927782 LVCNGEVGZQNDAA-XMHGGMMESA-N 494.635 3.789 10 10 JHCE O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1 170552010 JAQRIVCFYOKJCW-UHFFFAOYSA-N 476.539 3.802 10 10 JHCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)cc2c1 208280321 ZRBOWJHUXVAGKM-JZQBQCRLSA-N 455.605 3.760 10 10 JHCE Oc1ccc(CNc2cc(I)cc(I)c2)c(O)c1 709844035 IFRSUSMJCXRUHZ-UHFFFAOYSA-N 467.044 3.919 10 10 JHCE CC[C@@H](Oc1ccccc1/C=C1/SC(=S)N([C@H](CCSC)C(=O)O)C1=O)C(C)=O 1614236820 SBGSVXVJKBXNNY-DSWHRGLISA-N 453.607 3.841 10 10 JHCE O=C(COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)NCc1ccco1 1858836842 PIBBXMSTXWFKBY-UHFFFAOYSA-N 496.479 3.789 10 10 JHCE COc1cc(/C=C2/C(=O)N(Cc3ccc(Cl)cc3)N=C2C)ccc1OCCN1CCOCC1 1865665667 GDSSDAVVNZYXBU-PXLXIMEGSA-N 469.969 3.861 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868708108 FXWMNVWJXHJZHV-PXDATVDWSA-N 481.637 3.995 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nonc3OCCCOc3ccc(Cl)cc3)CC2)cc1 1872677341 VUUXWHASMXAZNN-UHFFFAOYSA-N 472.929 3.542 10 10 JHCE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CCC2 2200987777 KEMBEOSWHZQIMK-QUCCMNQESA-N 473.570 3.897 10 10 JHCE 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3.585 10 10 JHCE Cc1ccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1C 20356378 HNCFBHWEGRNPCB-DWCAQMBTSA-N 462.579 3.856 10 10 JHCE COc1ccc(N2CCN(c3nnc(C(=O)NCc4ccc5c(c4)OCO5)c4ccccc34)CC2)cc1 34838555 FLBCZPYFDCULSI-UHFFFAOYSA-N 497.555 3.624 10 10 JHCE O=C(c1cccc(O)c1)N1CCN([C@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 725842566 BNEXGYWQNIAVLX-DEOSSOPVSA-N 483.528 3.898 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)[C@@H]2CCCO2)cc1 1858895175 HPWKURGOTUCETP-QFIPXVFZSA-N 470.481 3.868 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)C(C)C)sc(C)c1-c1ccc(Cl)cc1 1860758908 MXFVMZGLDWXYGU-MRXNPFEDSA-N 466.943 3.718 10 10 JHCE CCC[C@H](NC(=O)CCc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861941033 XVRPAGBHQRLDKM-VWLOTQADSA-N 451.611 3.878 10 10 JHCE COc1cccc(-c2cc(C(=O)N[C@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)no2)c1 1867134956 BODBQKMEZCDAHW-OAHLLOKOSA-N 495.491 3.883 10 10 JHCE C=Cc1ccccc1OCC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867265052 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BEOHZQKLLJJSJN-HKEOCKFOSA-N 492.605 3.884 10 10 JHCE CCOc1cccc(CN2C[C@@H](NC(=O)c3[nH]c4ccc(Cl)cc4c3C)C[C@H]2C(=O)OC)c1O 55074207 CMGFYYYIFCRZMQ-PXNSSMCTSA-N 485.968 3.780 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=N)N21 96460226 GNGKHECZGJKILB-NIIVYLOLSA-N 460.562 3.751 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)CCCNC(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1 585200394 AMWLBHZXDRYETR-UHFFFAOYSA-N 488.654 3.656 10 10 JHCE COCCCNC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586620195 YRBIAJWQXKYFAO-UHFFFAOYSA-N 457.486 3.872 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1 742926766 ABVQEQRNTFWCFU-UHFFFAOYSA-N 464.591 3.561 10 10 JHCE CC(C)OC(=O)c1ccnc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 1858762076 FPXAPOSWMQABNS-UHFFFAOYSA-N 485.496 3.780 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccc(OCC(C)C)cc3)CC2)cc1 1862263063 WYLRVZSYPXIJFT-DEOSSOPVSA-N 483.634 3.594 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(N(C)C)cc3)c3ccccc3)CC2)cc1 1862294651 FTIOVIKQJKMDCF-SANMLTNESA-N 472.589 3.581 10 10 JHCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865027747 KJUCAYWYRSSOID-HXUWFJFHSA-N 466.925 3.562 10 10 JHCE CCOC(=O)c1c(NC(=O)c2cc(O)c(O)c(O)c2)sc(C(=O)OCc2ccccc2)c1C 1865876603 VUFAFDXWVNNPJA-UHFFFAOYSA-N 471.487 3.959 10 10 JHCE CCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867775655 POTYIYYCSLMWFE-RPBOFIJWSA-N 450.627 3.995 10 10 JHCE CC[C@](C)(NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869066015 QXCFYMSCMCQDGT-MHZLTWQESA-N 475.593 3.641 10 10 JHCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873170053 MRABPXJQYNAIOP-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE CC(C)(C)OC(=O)N1CCc2c(N3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)ccc(N)c2C1 2106876658 NYIDSNXGWVNISF-CALCHBBNSA-N 458.603 3.865 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1O 2296879854 GIIYKIRTXYYAFK-UHFFFAOYSA-N 465.350 3.710 10 10 JHCE COc1cc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc(OC)c1OC 2296879911 JQXGOHPBBOMBJR-OAHLLOKOSA-N 459.545 3.610 10 10 JHCE CCc1ccc(C=C2SC(=S)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2296881700 WMOVYVHZUVLVEI-UHFFFAOYSA-N 492.626 3.887 10 10 JHCE N=C1C(=Cc2cccn2CCOc2ccc(Cl)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352735 QUTZCHMVAMUQIF-UHFFFAOYSA-N 468.970 3.893 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 2314414417 YJNWVQUPOKRFTG-UHFFFAOYSA-N 494.642 3.977 10 10 JHCE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(OC)c(OC)c4)SC3=S)C2=O)cc1 15051284 HZZDXOZIHIRNDN-SYERDGIWSA-N 498.582 3.636 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c(C)c1 59858377 KDJSWBJQNVOMDR-UNOMPAQXSA-N 474.477 3.593 10 10 JHCE O=C1N=C(S)N(Cc2ccccc2)C(=O)/C1=C/NCCC1CCN(Cc2ccccc2)CC1 102702501 CLLLLCBRYBZGFY-HAVVHWLPSA-N 462.619 3.617 10 10 JHCE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 109986287 OZNFAYQQJAQFDJ-FMIVXFBMSA-N 499.596 3.504 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccsc3)n2CCCSc2nccs2)C1 1301660036 HXYCOGBASWCRGW-SFHVURJKSA-N 476.697 3.874 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc3nc(O)oc3c2)nc1-c1ccc2c(c1)CCC(=O)N2C 1859573626 OWBXJQCNRUZLMK-UHFFFAOYSA-N 470.532 3.675 10 10 JHCE COC(=O)c1nc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)sc1C 1860344967 KVCUCTSKRRIWAM-UHFFFAOYSA-N 499.552 3.765 10 10 JHCE CCC[C@@H](NC(=O)/C=C/c1ccc(OCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862157560 RUUFMFIROKQXGV-ZLWHBRAQSA-N 465.594 3.741 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015651 UMXYTDBXYWNAGJ-QGZVFWFLSA-N 488.466 3.501 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccnc1)=C(N)O2 1864017385 KZURGJNOHTYIOS-QHCPKHFHSA-N 497.555 3.560 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864020911 HXXHDQFNUDJZAB-QFIPXVFZSA-N 476.577 3.566 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864023334 YGJAUQNEUIVGDR-INIZCTEOSA-N 480.487 3.867 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1865033772 HWDKHUGQAKYIFL-HNNXBMFYSA-N 468.476 3.676 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1865034567 ZQYFIKNBFYMKCM-WBMJQRKESA-N 480.487 3.819 10 10 JHCE CC[C@](C)(NC(=O)c1cc(-c2cccnc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867158186 AOYDOWUZRGNALR-NDEPHWFRSA-N 493.523 3.784 10 10 JHCE CC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826320 CFGIZEFEVKHIKV-RPBOFIJWSA-N 450.627 3.913 10 10 JHCE CCCCCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870452242 GSWWUUHFTUFEFD-UHFFFAOYSA-N 485.625 3.701 10 10 JHCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)C1CCN(C(=O)NCc2cccs2)CC1 1891395809 HKABJPUBCATPOJ-UGKGYDQZSA-N 452.624 3.975 10 10 JHCE CC(C)(C)OC(=O)NCCN1CCC(NCc2cc(Cl)cc(Br)c2O)CC1 1918377473 JVZJLEXDEAKODV-UHFFFAOYSA-N 462.816 3.887 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(CO)c2I)c(O)c1 2080052488 ASTJGWHWRRRRTR-MRXNPFEDSA-N 454.308 3.745 10 10 JHCE COc1ccc([C@@H](C)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 2271977961 IPRNFBVBAOXDKJ-MRXNPFEDSA-N 465.591 3.908 10 10 JHCE CN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 2296538208 FPVBJXIXRQVGAG-UHFFFAOYSA-N 477.489 3.892 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)C2=O)cc1 2313548691 CGLYAPQWWDNAML-UHFFFAOYSA-N 467.459 3.500 10 10 JHCE COCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33509054 MBLMDSLZLYBWOH-LGMDPLHJSA-N 458.609 3.533 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33516600 UHOVFDYQZNTITB-QGOAFFKASA-N 450.589 3.879 10 10 JHCE CCCCCCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3ccc(C)cn3c2=O)SC1=S 33581166 KZUYXYVOFNBLCY-CAPFRKAQSA-N 499.706 3.926 10 10 JHCE Cc1cccc(N2C(=O)/C(=C3/C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)c1C 33677527 YOWPKLFIRPRZKA-DQRAZIAOSA-N 478.643 3.631 10 10 JHCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1O 226663284 ROHWEQQMBPVKOU-DOGKRZLPSA-N 456.564 3.685 10 10 JHCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011124 ZQHUTYXRVZTIOG-FPTDNZKUSA-N 462.550 3.757 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865025951 GMXCOCFBYDDJQF-WNSKOXEYSA-N 492.551 3.886 10 10 JHCE COc1ccc(Nc2nc(=NCCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871564445 LBXOTRPSXPFPNZ-UHFFFAOYSA-N 477.613 3.839 10 10 JHCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC(C)C)C1=O 1873167378 DROKATNUZDLSJQ-UHFFFAOYSA-N 480.653 3.921 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccccc3OC)SC2=S)cc1 2297296755 GWPFSNBHRIUXRY-UHFFFAOYSA-N 456.545 3.712 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1O 2297342100 PCESNJFPFLDHJX-UHFFFAOYSA-N 465.687 3.873 10 10 JHCE CCCN1C(=O)/C(=C2/SC(=S)N(CCCOC)C2=O)c2cc(Br)ccc21 2509028 RGEUYIDDMXQIEI-CCEZHUSRSA-N 455.399 3.814 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)NCc3ccccc3)C2=O)cc(OC)c1O 15043614 RLOOWSNDVVAMEY-UYRXBGFRSA-N 472.588 3.707 10 10 JHCE CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 35300223 OXVDSLPBPLHVIE-ATVHPVEESA-N 452.561 3.536 10 10 JHCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1O 101122968 FEFSXHZUZWRBAE-NTEUORMPSA-N 464.219 3.624 10 10 JHCE CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 206878361 SKGCZHAFIKJZRP-CYVLTUHYSA-N 478.636 3.868 10 10 JHCE C[C@@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc2F)C[C@@H](C)O1 918285972 CMYMXLYQUSIUNK-IAGOWNOFSA-N 483.540 3.736 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCSCC3)cc2)CC1 1595924924 WXALSEXJOFAFAU-UHFFFAOYSA-N 470.687 3.624 10 10 JHCE O=C(CCNCc1cc(Cl)cc(Br)c1O)NCCc1nc2ccccc2[nH]1 1860715519 YUVPATRLOJGIBS-UHFFFAOYSA-N 451.752 3.523 10 10 JHCE CCOc1ccc(/C=C/C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862158561 GFJBTBDQRLDFHI-MKZVKBBESA-N 497.661 3.694 10 10 JHCE CCC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2cccc(OC)c2C1=O 1865837144 LUGLIODSDTUIDN-HXUWFJFHSA-N 482.492 3.874 10 10 JHCE CCC[C@@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868944287 WMRAMGMZLWNXBY-NBGIEHNGSA-N 467.610 3.831 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3c4ccccc4C(=O)N(C)[C@H]3c3ccccc3)CC2)cc1 1891841794 VMRDWTBBBZLFKT-UIOOFZCWSA-N 455.558 3.955 10 10 JHCE CC[C@H](c1ccc(OC)cc1O)n1nc(C2CCC2)c(C(N)=O)c1I 2080022573 MBHMHBWZSNBROV-CYBMUJFWSA-N 455.296 3.568 10 10 JHCE COCCN1C(=O)C(=Cc2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 2314509068 RWDZXEWQJIDMTF-UHFFFAOYSA-N 467.572 3.951 10 10 JHCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)cc1OC)C(=O)O 2314932344 MMJNCVGFCUDMNX-HNNXBMFYSA-N 490.534 3.623 10 10 JHCE Cc1c(/C=C2/SC(=S)N(C(C)C)C2=O)c(N(C)Cc2ccccc2)n(C)c(=O)c1C#N 33454479 CFOQNOMNPHOFSG-YBFXNURJSA-N 452.605 3.811 10 10 JHCE O=C(Cn1cc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)c2ccccc21)NC[C@H]1CCCO1 33850470 BCFZPNUVGUYCGD-UEXNTNOUSA-N 490.491 3.582 10 10 JHCE COc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c(C)c1 62694360 UVEHPDCQINZFNV-UHFFFAOYSA-N 481.618 3.600 10 10 JHCE CC(=O)N1CCCN(c2nnc(COc3cccc(C)c3)n2CCCSc2nccs2)CC1 1596127756 ZWPROOZWNLQBAU-UHFFFAOYSA-N 486.667 3.863 10 10 JHCE C#CCN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2ccc(N(C)C)cc2C)CC1 1705636038 VVPCSKRTZNTEST-UHFFFAOYSA-N 499.482 3.947 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@@H]2c1ccc(O)c(O)c1 1864009258 CYERIVDVBZPCIR-JOCHJYFZSA-N 462.550 3.641 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864016200 JMUMOLNOUBLHIK-NRFANRHFSA-N 483.528 3.566 10 10 JHCE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864016681 VIFFDDPVUGNSNM-OAQYLSRUSA-N 483.528 3.565 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864017717 SJJFWYSVPUURLJ-XOBRGWDASA-N 478.549 3.599 10 10 JHCE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)c1 2297346012 WIBRJRKCNFPFKO-UHFFFAOYSA-N 469.592 3.802 10 10 JHCE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCCO)nc3c(C)cccn3c2=O)SC1=S 2314414678 ISVRNAXCNLBNNL-MRXNPFEDSA-N 474.652 3.825 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CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864021201 MXDGKZQGPHEVHN-YCRPNKLZSA-N 462.550 3.839 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@@H]2c1ccc(O)c(O)c1 1864021641 QYFXVUWZRQOANC-JOCHJYFZSA-N 476.577 3.895 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCCn3ccnc3)CC2)cc1 1870354361 YPAJHTALWVSHLC-UHFFFAOYSA-N 493.652 3.891 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873166679 WBVDLJLGIYWAHB-HSZRJFAPSA-N 456.546 3.538 10 10 JHCE CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650020 IFCYYGGSDHPUTC-UHFFFAOYSA-N 496.575 3.915 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCOCC3)=NC2=O)cc1OC 2040582385 GCWXKLDKJAWJFA-UHFFFAOYSA-N 476.558 3.859 10 10 JHCE CCN(CC)c1ccc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2323683642 RBBUEDPBVAJFSQ-UHFFFAOYSA-N 461.634 3.582 10 10 JHCE Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 6973881 RYCBWKLFBLPJPU-STZFKDTASA-N 456.454 3.939 10 10 JHCE 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3.581 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCOc3cccc4ccccc34)CC2)cc1 1872642603 RZYZCZNFGJALJF-UHFFFAOYSA-N 488.544 3.581 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873169025 VJJRCPAIECJDTA-UHFFFAOYSA-N 465.557 3.930 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(C)cc3)n4C)CC2)cc1 1873650364 KNSSZRLFORZCMR-UHFFFAOYSA-N 456.550 3.864 10 10 JHCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C2CC2)c(C(=O)OC)c1I 2080003444 MWJOUDNSUFLURI-ZDUSSCGKSA-N 456.280 3.865 10 10 JHCE COCCN1C(=O)C(=Cc2c(Oc3ccc(F)cc3)nc3c(C)cccn3c2=O)SC1=S 2314506224 CDGKHHNWLCWYLE-UHFFFAOYSA-N 471.535 3.782 10 10 JHCE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 33248664 UJVFIAOAPRTCAI-XMHGGMMESA-N 478.599 3.705 10 10 JHCE CC(C)CN1CCO[C@H](CNC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)C1 109621995 IFMLVRIJFKKKOL-GOSISDBHSA-N 470.561 3.678 10 10 JHCE O=C(O)CCCNC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586628094 IUIRAGNNIXWNTK-UHFFFAOYSA-N 471.469 3.701 10 10 JHCE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NCc1cc(Cl)cc(Br)c1O 708110774 HDLDQRXBZDPIQF-PWXKEOIMSA-N 461.784 3.968 10 10 JHCE CCCOC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858844586 GTZPJGJZTMRZJZ-UHFFFAOYSA-N 459.458 3.833 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 1862150693 IOEDJZWGBLHNGK-WJXUGBSRSA-N 462.377 3.869 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014687 AEZBJZULQMEWPW-YVEFUNNKSA-N 488.466 3.912 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@H]1c1ccc(O)c(O)c1 1865033773 HWDKHUGQAKYIFL-OAHLLOKOSA-N 468.476 3.676 10 10 JHCE CCN(CC)CCCN1C(=O)C(NCCCOC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166040 ZPVYEHQRZPFZDP-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(NC(C)=O)c3)n4C)CC2)cc1 1873650340 JHOXWAJWDONYPH-UHFFFAOYSA-N 499.575 3.514 10 10 JHCE CC(C)n1nc(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2c1=O 1874180750 OUJYFGCXVJOAAY-UHFFFAOYSA-N 451.482 3.934 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3)CC2)cc1 1874643330 WQCFTDNYTYWLIY-HHHXNRCGSA-N 482.584 3.866 10 10 JHCE Cc1ccc(CN2C(=O)C(=Cc3c(NC[C@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1 2296707942 ZQEYVSXAZWPDTE-GOSISDBHSA-N 492.626 3.995 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1-c1ccccc1F 2297345962 RQTJOFPABYBXCM-UHFFFAOYSA-N 473.555 3.633 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1O 2314829254 ZYYUEYCYVJPIBX-UHFFFAOYSA-N 458.561 3.948 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)cs2)cc1Cl 11857784 OJOLEPJENBANMP-UHFFFAOYSA-N 465.940 3.628 10 10 JHCE Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 15034536 JJZXOOWURNXYMJ-DZBQEORWSA-N 456.545 3.687 10 10 JHCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15048305 NEXKTMCQAIASHL-NOMGLIDZSA-N 454.573 3.924 10 10 JHCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C2CCCC2)C1=O 33781129 PRJQYNVXQNEVIT-AQTBWJFISA-N 472.636 3.985 10 10 JHCE O=C1/C(=C\c2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 33933365 MEFZNOTYLPSBJV-HNMKQIAWSA-N 478.599 3.687 10 10 JHCE CCN(CC)c1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccc(C)cc4)NN32)cc1 588226603 ZSMNXHANFKAFEH-AREMUKBSSA-N 483.641 3.918 10 10 JHCE CCS(=O)(=O)c1ccc(O)c(N=c2cc(C)c3c(C)nn(-c4ccc(OC)cc4)c3[nH]2)c1 1859832343 ODDHSEALSRIZEI-UHFFFAOYSA-N 452.536 3.711 10 10 JHCE CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2296713498 FUCSIXRJSDEOLD-UHFFFAOYSA-N 451.573 3.880 10 10 JHCE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C2=O)c1 2296935854 KMGCIMCDYCWRNU-UHFFFAOYSA-N 488.496 3.958 10 10 JHCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 2297549498 VOKZEASWGHKBAV-UHFFFAOYSA-N 484.556 3.964 10 10 JHCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)c1)C(=O)O 2314926770 RHOIYJKOWJOMFK-MRXNPFEDSA-N 459.501 3.738 10 10 JHCE COc1cc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314931704 HRUYQSYOJDXDDX-GFCCVEGCSA-N 472.544 3.911 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O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 1860743132 XFCMANRVCLESRG-UHFFFAOYSA-N 496.498 3.822 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864013986 KQHWWSYYNROTLT-FQEVSTJZSA-N 454.571 3.800 10 10 JHCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018916 DGIRTXCWPXULCG-FQEVSTJZSA-N 482.968 3.778 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865026198 JVFSKIQCLRWTKE-CMJOXMDJSA-N 492.551 3.743 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865030834 SAOSIDKOVPTBOH-FQEVSTJZSA-N 454.571 3.754 10 10 JHCE CCC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868767611 NYKNQBXIDCJDIC-VWLOTQADSA-N 489.620 3.745 10 10 JHCE CCN(CC)CCCCN1C(=O)C(NCCOC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165051 FYICIELIAZDNLE-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE COc1ccc([C@H](C2CCC2)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079847609 WAICBVXDAPGEDV-ZDUSSCGKSA-N 495.239 3.709 10 10 JHCE CC(C)C1=NN2C(=N)C(=Cc3ccccc3OS(=O)(=O)c3ccccc3)C(=O)N=C2S1 2293606146 SVNVLQCVQFUGAP-UHFFFAOYSA-N 454.533 3.729 10 10 JHCE COCCN1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S 2296541887 DEZCPWOQAHWRPY-UHFFFAOYSA-N 480.615 3.771 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=N)N21 2297345258 GNGKHECZGJKILB-UHFFFAOYSA-N 460.562 3.751 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)O)cc1 2297349407 WYDALEWSLMNXDW-UHFFFAOYSA-N 470.528 3.734 10 10 JHCE CCOc1cc(C=C2SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccc(OC)cc1 2297357764 JRMSTLBICCWNIV-UHFFFAOYSA-N 465.574 3.693 10 10 JHCE COc1cc(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O 2313559809 VAUGCAIGODEBDH-UHFFFAOYSA-N 496.111 3.592 10 10 JHCE CCOc1ccc(C=CC(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330599607 GFJBTBDQRLDFHI-RUZDIDTESA-N 497.661 3.694 10 10 JHCE CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 1138310 MDRVREBSJJBWBD-NVMNQCDNSA-N 459.480 3.610 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C(=O)N=C2S1 20208013 IORDJBYUILGABZ-QNHLIMGLSA-N 492.941 3.679 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 20356681 GZXWSGMHWQABSW-FAXLCBLLSA-N 468.970 3.656 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3F)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)Nc1ccccc1-3 21659253 IGQODDKQHJTMLR-QFIPXVFZSA-N 484.487 3.760 10 10 JHCE O=C(c1ccc(F)cc1)[C@H]1C2(C(=O)c3ccccc3C2=O)N2CCC[C@@H]2[C@]12C(=O)Nc1ccccc12 34847922 KRONNNNNIWWILM-FAHANXHHSA-N 480.495 3.811 10 10 JHCE COc1ccc(C(=O)N(C)CC(=O)N2N=C(c3cccn3C)C[C@H]2c2cc(OC)ccc2OC)cc1 35963796 ONTSOBMUAMTGJX-DEOSSOPVSA-N 490.560 3.501 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 104674028 XIKRVVGLLFSYIU-AHRSHGDUSA-N 451.611 3.551 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)CC2)cc1 742910271 DEENWOVYZRRDBX-UHFFFAOYSA-N 489.576 3.768 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)C(C)(C)C(=O)N4)cs2)c1 1859574031 KGLGWIHMUQTHMZ-UHFFFAOYSA-N 459.549 3.858 10 10 JHCE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862297226 BTLPMVFEQUYYRX-NRFANRHFSA-N 474.945 3.504 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864008999 WWBRQSNLTDSDFS-QFIPXVFZSA-N 462.550 3.508 10 10 JHCE COc1ccc(OC)c2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c12 1866452876 ZTFBWMWFPBUMJY-UHFFFAOYSA-N 454.438 3.573 10 10 JHCE CCCN(CCC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCOC 1873558226 MWFBZDHBTZFZGW-UHFFFAOYSA-N 494.640 3.675 10 10 JHCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1O 2109467505 BJAFYNHWBVNPTI-NRSPTQNISA-N 461.603 3.881 10 10 JHCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 2313548969 KIDNMJYLOPJMDQ-UHFFFAOYSA-N 459.296 3.831 10 10 JHCE CC[C@@](C)(NC(=O)C=Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328566858 PEUIXKKHMZDAJH-RUZDIDTESA-N 455.986 3.996 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)cc1 2330530625 IOEDJZWGBLHNGK-MRXNPFEDSA-N 462.377 3.869 10 10 JHCE Nc1ccc(CS(=O)(=O)c2cc(I)ccc2Br)cc1 2338413828 OFYHWPGGQWULAG-UHFFFAOYSA-N 452.111 3.610 10 10 JHCE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 8704890 PBHIEQWXXSYADZ-QFIPXVFZSA-N 454.596 3.539 10 10 JHCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15048270 WEGIIOZPTSCFNP-IEOAWGNMSA-N 484.599 3.836 10 10 JHCE Cc1cccc(OCCOCCOc2ccccc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 27531685 AYWCRDNMOVFGHV-LYBHJNIJSA-N 458.514 3.931 10 10 JHCE CCOCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N(CC)CC)SC1=S 33475959 SWWHCFUGFWNLMB-QGOAFFKASA-N 462.641 3.522 10 10 JHCE CC(C)Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 33637944 WFSZDCJAKFYRAN-NBVRZTHBSA-N 450.589 3.959 10 10 JHCE CN(C)c1ccc(CN2CCCN(c3ccc(NC(=O)COc4ccccc4)cn3)CC2)cc1 34681975 UPLGDCHYYGSNKM-UHFFFAOYSA-N 459.594 3.877 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)ccc1O 35623366 OQVIOZBOXSEAGZ-PXNMLYILSA-N 462.465 3.836 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cc(C)c(C)cc3OC)c3ccco3)CC2)cc1 38619364 ZEIMYWZVDGJVCQ-HSZRJFAPSA-N 499.633 3.755 10 10 JHCE Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 59098843 KLOOYHHFOBRSHL-BHIFYINESA-N 455.441 3.829 10 10 JHCE Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1C 59859789 YXLXVZDGNWQFMS-ATVHPVEESA-N 450.451 3.555 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@H](C(=O)NCCc4cccs4)[C@H]3C2)cc1 248153535 XVYKJFNRYFBWMX-UKILVPOCSA-N 492.601 3.891 10 10 JHCE CCN1CCN(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)CC1 586659613 ZOXNPRYEYBQHAN-UHFFFAOYSA-N 482.540 3.884 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032985 PECLSXQXYPUVFN-OAQYLSRUSA-N 462.550 3.717 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3c(F)ccc(F)c3[nH]2)N2CCCCC2)cc1 1866496789 NZOBRETUCHPPPG-NRFANRHFSA-N 454.521 3.829 10 10 JHCE CCCOc1cn(CCCCN2CCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870657010 BZICVTXYUJWWFU-UHFFFAOYSA-N 482.669 3.844 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873164357 XYCMAIQKVDMRIT-UHFFFAOYSA-N 463.541 3.954 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@H]1COc2ccccc2O1 1873958888 WXCFWILONIBVSE-SFHVURJKSA-N 492.535 3.531 10 10 JHCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 2053539703 ZZAWYLGJGWENSC-CYBMUJFWSA-N 476.488 3.682 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1 2296885418 UCEWAUISAFQYHL-UHFFFAOYSA-N 473.532 3.929 10 10 JHCE CCOC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C2=O)cc1 2313543999 XYCRUPOFPWIDAO-UHFFFAOYSA-N 477.429 3.502 10 10 JHCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12 2313682921 NVMLRMGVSROLGV-UHFFFAOYSA-N 475.505 3.757 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 17136165 PZZOQUVGDLTMDU-ZDLGFXPLSA-N 474.516 3.858 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(-n4ccc(C(F)(F)F)n4)c3)c2)CC1 1128040530 RLRDJVXNJKCKEJ-UHFFFAOYSA-N 457.456 3.812 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nnc4ccc(-c5ccccc5)cn34)CC2)cc1 1858213148 MWONEYMHDFYWCI-UHFFFAOYSA-N 459.575 3.846 10 10 JHCE CC[C@H](NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861886821 VDHXQDOSXIQPMX-QHCPKHFHSA-N 496.011 3.700 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccc(F)c3)CC2)cc1 1862068267 PKWKQJLZLXAOMP-RUZDIDTESA-N 479.527 3.663 10 10 JHCE CCCC[C@@H](NC(=O)c1cc2ccccc2n1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862078636 FJOHYBDXEGMAEB-HSZRJFAPSA-N 462.594 3.824 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1862295321 RALLZHCYNRAPPJ-MHZLTWQESA-N 487.600 3.708 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)cc1 1868721076 YTHVYJUTWVLMOQ-SANMLTNESA-N 493.554 3.960 10 10 JHCE CCc1ccc(-n2c(=O)ccc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc32)cc1[N+](=O)[O-] 1873534815 WUBHLFZGNNLMMS-UHFFFAOYSA-N 486.532 3.587 10 10 JHCE COc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(CN)c2I)c(O)c1 2080022309 INILZFBNICALKS-GOSISDBHSA-N 453.324 3.928 10 10 JHCE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCc1ccccc1 2297311661 QIBSFCIGMLOVRE-UHFFFAOYSA-N 477.542 3.728 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC)c(OC)c3)C2=O)cc1 2297325009 XFZOUNXSAPPKSD-UHFFFAOYSA-N 475.295 3.531 10 10 JHCE CCOc1ccc(-c2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297352674 LDSNFRXDKKCCTE-UHFFFAOYSA-N 480.506 3.926 10 10 JHCE COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccccc3C)C2=O)cc(OC)c1O 15045546 YMKQPLLYBVIQQL-FHNWIRHTSA-N 458.561 3.946 10 10 JHCE COc1cc(Br)cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c1O 59135813 LVLSUMTUUZVUAN-XFFZJAGNSA-N 451.273 3.974 10 10 JHCE CC[C@@](C)(NC(=O)Cc1cc(OC)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861898971 FESKPLDVBRRRJG-RUZDIDTESA-N 474.001 3.533 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3ccccc3)c3ccccc3)CC2)cc1 1862288850 NVDCIRRLJRAKEI-HHHXNRCGSA-N 457.574 3.834 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864008707 QCCKFQUFVVFMSA-YUNKPMOVSA-N 468.941 3.855 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864022017 IOUZGQDUFVQBPW-QGZVFWFLSA-N 488.466 3.734 10 10 JHCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865025934 FSQUFBJGJWVYHR-NRFANRHFSA-N 480.952 3.621 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(C(=O)OC(C)(C)C)C2CCNCC2)n1 1867954468 ZBBRFLWSSIAISD-UHFFFAOYSA-N 496.656 3.868 10 10 JHCE CCN(CC)CCn1cc(OCCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870353507 ORAAVZOASQTDMI-UHFFFAOYSA-N 484.685 3.946 10 10 JHCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1890571129 JUADTIJAJKTQTJ-RTMPEQEDSA-N 462.619 3.534 10 10 JHCE CO[C@H](C(=O)O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951832479 FECYTUQLNQTNLO-URXFXBBRSA-N 463.486 3.647 10 10 JHCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1cc(F)cc(F)c1O 2084885321 DZLHHYGZEHEZIN-UHFFFAOYSA-N 459.534 3.958 10 10 JHCE O=C(C=C[C@H]1CC=CCC1)Oc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2296538243 IMPCYPFETZEDOE-FUHWJXTLSA-N 489.640 3.893 10 10 JHCE CN1C(=O)C(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)NC1=S 2313624480 VVDDXPBQUANMEK-UHFFFAOYSA-N 454.349 3.709 10 10 JHCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC 2314754144 LVCNGEVGZQNDAA-UHFFFAOYSA-N 494.635 3.789 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3ccccc3O)SC2=S)cc1 2314837749 WGMWNYJHKTZLIL-ZDUSSCGKSA-N 456.545 3.797 10 10 JHCE CCC(=CC(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1ccc(OC)cc1 2329514606 NFWDBWZGPDNBDB-HHHXNRCGSA-N 479.621 3.987 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)N=C2O)ccc1OCC(=O)O 27522775 GMMKRDTVGAOLBH-GZTJUZNOSA-N 452.463 3.963 10 10 JHCE COC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c1 95547692 BDWQNTQKDZUSTI-UCQKPKSFSA-N 486.528 3.721 10 10 JHCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 504472528 ZILJQYFVSJHHBV-VNAWGFGGSA-N 454.482 3.850 10 10 JHCE biogenic CC(=O)N1CCN(c2ccccc2CNCc2cc(Cl)cc(Br)c2O)CC1 1199933392 JXXPPQJUHONPDP-UHFFFAOYSA-N 452.780 3.766 10 10 JHCE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(C)n(-c4ccc(Br)cn4)c3C)[C@H]2C1 1629127637 ICYMVXLPNIBCJZ-VDGAXYAQSA-N 459.388 3.628 10 10 JHCE C#CCN(CC#CC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCS1(=O)=O 1705590230 FXISYOHQXRIUEV-XMMPIXPASA-N 489.645 3.783 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)CCCN3C)C1 1705965060 NEAPPLCKLYHOEZ-OAQYLSRUSA-N 452.647 3.602 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](CC(C)C)N(C)C)CC1 1749846123 GQOQYIYJCNQZQB-RUZDIDTESA-N 491.684 3.997 10 10 JHCE COc1cc(N2CCC(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC 1858044501 XCMAGHWRYXDGFW-UHFFFAOYSA-N 462.612 3.957 10 10 JHCE CC(=O)N[C@H]1CCOc2ccc(-c3csc(NS(=O)(=O)c4ccc(F)c([N+](=O)[O-])c4)n3)cc21 1859482533 HFZPMRAEMAVHPX-INIZCTEOSA-N 492.510 3.618 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864018168 DSDDKNAYPUMVRL-NRFANRHFSA-N 480.540 3.655 10 10 JHCE CC[C@@](C)(NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867253106 UDDBQMHFLUWNDH-MUUNZHRXSA-N 496.523 3.993 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccc(C)cc5)CC4)nc(C)n3)CC2)cc1 1867990483 OVPPYEYFHPUCLN-UHFFFAOYSA-N 472.637 3.751 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(c5ncncn5)CC4)nc(C(C)C)n3)CC2)cc1 1869097581 RIQSZTRGNRNGGD-UHFFFAOYSA-N 474.613 3.504 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873165349 JHHLFEGXQNNICK-UHFFFAOYSA-N 496.615 3.792 10 10 JHCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(CC)CC)C1=O 1873170349 WIOXFNJHOZQDSP-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE CCCCn1c(C(=O)NCC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873577729 FDPCUHZMYBNCSW-UHFFFAOYSA-N 464.614 3.952 10 10 JHCE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2040498094 CBIORHWQXDOQIW-KRWDZBQOSA-N 480.615 3.587 10 10 JHCE O=C(O)c1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079172332 QMVWBJFNNPMQGX-UHFFFAOYSA-N 480.102 3.977 10 10 JHCE C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(CC=Cc1ccc(N(C)C)cc1)CC2 2297521682 BXIUNBDRKXJLGV-QFIPXVFZSA-N 472.637 3.726 10 10 JHCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2314541560 NWTTYNIOAWZDAS-KRWDZBQOSA-N 490.990 3.839 10 10 JHCE Cc1ccc(CNC(=O)C[C@@]2(NC(=O)OC(C)(C)C)CCSC2)c(O)c1Br 2381127575 YNJFWWIJUHECDS-IBGZPJMESA-N 459.406 3.870 10 10 JHCE Cc1ccc(CN(C)C(=O)C(CF)(CF)NC(=O)OC(C)(C)C)c(O)c1Br 2381140174 GXBDAZJLWHGIST-UHFFFAOYSA-N 451.308 3.624 10 10 JHCE COC(=O)c1ccc2c(=O)n(-c3cccc(C)c3)c(N3CCN(c4ccc(OC)cc4)CC3)nc2c1 49006444 LVZPBMAPEVKZED-UHFFFAOYSA-N 484.556 3.816 10 10 JHCE NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 728835783 KUZNXQCJWSZUBU-DEOSSOPVSA-N 472.545 3.548 10 10 JHCE CN(C)c1ccc(CN[C@@H]2CC(C)(C)[C@@H]3C[C@](C)(O)CC[C@@]32CCC(=O)N2CCOCC2)cc1 1616183017 WQXZYDOAQZNPFM-COHKGRJRSA-N 471.686 3.817 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(C)n(-c4cccc(Br)c4)n3)CC2)cc1 1858143413 WGKFAMQKMVHKPE-UHFFFAOYSA-N 455.356 3.914 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865032908 NTAWHKDESMJQCJ-AOMKIAJQSA-N 474.561 3.799 10 10 JHCE COc1ccc([C@@H](C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)C(C)C)cc1 1868847618 IGXRCRRZVQQFMZ-UIOOFZCWSA-N 481.637 3.933 10 10 JHCE O=C(OCC1c2ccccc2-c2ccccc21)N1CC(Cc2cc(O)c(O)c(O)c2)(C(=O)O)C1 1951973589 WXWGESZHTNHMKY-UHFFFAOYSA-N 461.470 3.682 10 10 JHCE Cc1ccc([C@H](C2CC2)n2nc(C3CCC3)c(C(N)=O)c2I)c(O)c1 2079007466 TUTQZNFCEQJKAH-KRWDZBQOSA-N 451.308 3.868 10 10 JHCE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 2163115562 IBWZSTWERLWIKU-QGZVFWFLSA-N 476.618 3.634 10 10 JHCE CCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650419 FVPFWNHQNBFFQW-UHFFFAOYSA-N 454.621 3.856 10 10 JHCE CCOC(=O)c1sc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)nc1C 9373054 BERABZGOJOWJDT-SDNWHVSQSA-N 461.590 3.858 10 10 JHCE Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c1C 59271072 QVOOEKLBBDQRFG-VWLOTQADSA-N 460.490 3.961 10 10 JHCE CC(C)NC(=O)C[C@@H]1CCN2C[C@H]1C=CCOc1ccccc1CN(Cc1ccccc1O)CC2=O 1616122079 XFDIAKVFSBHPLU-XZOQPEGZSA-N 491.632 3.722 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1749781260 ZWSFNGJFJUWQPK-UHFFFAOYSA-N 470.618 3.631 10 10 JHCE COc1ccc(N2CCN(C(=O)COc3cc4c(c5oc(=O)cc(C)c35)CCC(C)(C)O4)CC2)cc1 1860283383 VHYMUBJVUMBQGR-UHFFFAOYSA-N 492.572 3.941 10 10 JHCE CCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862207352 NDCQSTZAUVYDMX-MBSDFSHPSA-N 474.001 3.750 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2cc3cc(Br)ccc3oc2=O)c2nccn2C)cc1 1866290096 RMUAKRUADKAYIP-HXUWFJFHSA-N 481.350 3.874 10 10 JHCE Cc1cc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867870221 OEYSTTZTTSXNMX-DEOSSOPVSA-N 495.624 3.821 10 10 JHCE Cc1[nH]n(-c2ccccc2)c(=O)c1CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179495 HHXSSAFCMVRQLI-UHFFFAOYSA-N 451.482 3.821 10 10 JHCE COc1ccccc1-c1nn(Cc2ccccc2)cc1C=CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 2040464601 UGIUUILCPWDSCU-SANMLTNESA-N 494.551 3.900 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 2294143478 DYDOLFKDVDXLPJ-UHFFFAOYSA-N 472.501 3.663 10 10 JHCE COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl 2294235451 SDMWTRQROZAGOP-UHFFFAOYSA-N 451.729 3.942 10 10 JHCE Cc1ccc(NC(=O)COc2ccccc2C=C2SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 2314842232 JJZXOOWURNXYMJ-AWEZNQCLSA-N 456.545 3.687 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1)C(=O)O 2314926874 USNJEWOMKPXWPL-AEFFLSMTSA-N 457.529 3.956 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)N=C2S1 20208376 NLJDCLMOQACASN-VKGGKSIRSA-N 468.560 3.585 10 10 JHCE COc1ccc(C(=O)[C@H]2C3(C(=O)c4ccccc4C3=O)N3CCC[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 34687393 JQYCMTTZYLBTFV-ZBAJWAEMSA-N 492.531 3.680 10 10 JHCE biogenic Nc1ccc(CS(=O)(=O)Nc2ccc(I)cc2Br)cc1 312419985 OTYGWMQPQNIWJA-UHFFFAOYSA-N 467.126 3.578 10 10 JHCE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 728745702 ITRPVRBESIOTSA-IBGZPJMESA-N 452.574 3.788 10 10 JHCE COc1ccc(N2CCN(c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cn3)CC2)cc1 1858421597 ZMGKPGGWVUTTEB-UHFFFAOYSA-N 478.549 3.695 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)cc(-c5ccccc5F)n4)CC3)CC2)cc1 1858553628 YMUKCCOJEVUUQZ-UHFFFAOYSA-N 491.567 3.562 10 10 JHCE Cc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864008336 IKEFMOHSJODTHU-FATZIPQQSA-N 474.561 3.591 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012578 DKUHWTVOFONLAB-JOCHJYFZSA-N 476.577 3.762 10 10 JHCE CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868831490 LRMDTEDLLINCPW-GVAUOCQISA-N 467.585 3.962 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)cc4)n(C(C)(C)C)[nH]3)CC2)cc1 1869970016 CMBGRMGSEUAYMZ-UHFFFAOYSA-N 468.989 3.696 10 10 JHCE COc1ccc(CCC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2C(C)(C)C)cc1 1869970926 UBOHISAYTUVCAZ-UHFFFAOYSA-N 492.624 3.948 10 10 JHCE COC(=O)c1ccc(N2CCN(C3=NC(=O)C(=C/C=C/c4ccccc4)S3)CC2)c([N+](=O)[O-])c1 2059954745 IBEGFLHLUKAZFD-FBKLVLASSA-N 478.530 3.730 10 10 JHCE CC[C@@H](c1cc(C)c(C)cc1O)n1nc(C(F)(F)F)c(C(N)=O)c1I 2080030608 PGWVIPFCSUYOEY-JTQLQIEISA-N 467.229 3.927 10 10 JHCE CC(C)(C)OC(=O)N1CCC(CO)(CNCc2cc(Cl)cc(Br)c2O)CC1 2188262710 ALXWUVDJOXBSSI-UHFFFAOYSA-N 463.800 3.907 10 10 JHCE CCOC(=O)[C@H](C)N1C(=O)SC(=Cc2cc(Cl)c(OCC(=O)O)c(Br)c2)C1=O 2294014033 UMRMDPCIMHJTGG-QMMMGPOBSA-N 492.731 3.554 10 10 JHCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1cc(Br)ccc1OC(C)C 2297366477 XNMPGGCZVTVMTB-UHFFFAOYSA-N 478.368 3.690 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2297450036 BOYJGNOWGADYAH-UHFFFAOYSA-N 456.545 3.712 10 10 JHCE CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)CC1 6547503 YDNZYAJUYMQNMF-SRKLUXGOSA-N 473.620 3.525 10 10 JHCE CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1 20356638 GXIQPBBNDDIVAQ-BJRGRWSZSA-N 462.579 3.565 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1 206707666 QGUUNCSXNLLFBZ-JXAWBTAJSA-N 464.609 3.780 10 10 JHCE O=C1Cc2cc(-c3csc(NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n3)ccc2N1 1859572752 FWPKLCVREIUFPZ-UHFFFAOYSA-N 450.885 3.667 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864008582 NIBWYLXTTKIGKD-RUZDIDTESA-N 496.567 3.705 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@@H]2c1ccc(O)c(O)c1 1864021815 GYXPUPVIIGPLCS-QGZVFWFLSA-N 488.466 3.652 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865026867 BUCBHYIFVNHIDW-XVTZWQNCSA-N 488.588 3.850 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc(-c4ccccc4C)n3)CC2)cc1 1867961586 WJJJKKBPAJLEIC-JOCHJYFZSA-N 473.621 3.996 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)C(C)C)CC2)cc1 1868761670 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481.599 3.507 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3c4ccccc4C(=O)N4CCc5ccccc5[C@H]34)CC2)cc1 4789344 BTLYKGSNCPUZMF-RRPNLBNLSA-N 467.569 3.881 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccccc4OC)n3)CC2)cc1 33309917 YRVGXZDQEDBQQQ-UHFFFAOYSA-N 465.579 3.551 10 10 JHCE COc1ccc(OC)c([C@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)c2cccs2)c1 35963794 PXMUOHVDVCBLJQ-HXUWFJFHSA-N 466.563 3.554 10 10 JHCE Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(c3ccccc3)c3ccc(N)cc3)CC2)cc1 243946082 RXJHKPMQJFJYRY-UHFFFAOYSA-N 450.564 3.842 10 10 JHCE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 1566356957 SJWMZPUNBFSSFU-FYYLOGMGSA-N 455.986 3.662 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H]2CCCO2)sc(C)c1-c1ccc(Br)cc1 1860758262 ITQHQHAOMWOCIL-HNNXBMFYSA-N 495.395 3.896 10 10 JHCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011074 YVXLYCWQXYUJTK-QFIPXVFZSA-N 462.550 3.578 10 10 JHCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864014954 HAFCNKYHTHOUIN-HNNXBMFYSA-N 494.857 3.515 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865026375 MTLVIQWIYGNFKE-NRFANRHFSA-N 482.968 3.867 10 10 JHCE Cc1nc(CC(=O)N[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)co1 1867225869 CFZLPPTTXVVRPO-VWLOTQADSA-N 479.492 3.797 10 10 JHCE O=C(CCCC(=O)c1cccs1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868136422 XCZLFQCDLGUUSR-UHFFFAOYSA-N 460.511 3.631 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)cc4F)n(C(C)(C)C)n3)CC2)cc1 1869970481 KLIWZFPOLQUFHT-UHFFFAOYSA-N 470.524 3.899 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(Cl)c4)cn3CCCO)CC2)cc1 1870409687 VPTKCVJTVFQSIL-UHFFFAOYSA-N 498.023 3.794 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871544799 AWNQJUBPCRKYPR-UHFFFAOYSA-N 485.567 3.545 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)[nH]c(=Nc4cccc(C)c4)[nH]3)CC2)cc1 1871651514 VUJPKBWXVWNHJS-UHFFFAOYSA-N 499.594 3.854 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccccc5C)ncnc4n3C)CC2)cc1 1875197435 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489.531 3.546 10 10 JHCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1 2323812880 YQPABPFLIIVJNR-KRWDZBQOSA-N 464.609 3.634 10 10 JHCE Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1Cl 20356683 VWDXDPAKOCGIAQ-OAMOUCEHSA-N 482.997 3.965 10 10 JHCE CN(C)c1ccc(CNC(=O)C[C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc(F)cc2)cc1 35559244 KVHAZXMEEYPNIJ-VWLOTQADSA-N 481.593 3.886 10 10 JHCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 39990230 QGMSQCWLVWMTES-JYAVETKUSA-N 474.652 3.663 10 10 JHCE COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(Br)c(Cl)c4)C3=O)CC2)cc1 58951401 GBJDYJYJZNAYSK-IBGZPJMESA-N 478.774 3.565 10 10 JHCE O=C(Cn1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21)NC1CCCC1 59087182 WLRXBQUGNYFCAV-NDENLUEZSA-N 460.490 3.795 10 10 JHCE O=C(Nc1ccc(C(=O)N2CCCNCC2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586710033 UVSKTOINSMXZSN-UHFFFAOYSA-N 468.513 3.542 10 10 JHCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cccc(COc4ccccc4)c3)cc2)C1 918018690 BCGFBPYXCWOZFS-DEOSSOPVSA-N 472.589 3.967 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC 1084374128 WVRKWBPVWBKNJO-ZSOIEALJSA-N 459.296 3.750 10 10 JHCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(OC)c(OC)c3)sc2CCC(=O)O)cc1 1858034944 LJBNYHACWHFACO-UHFFFAOYSA-N 478.548 3.654 10 10 JHCE CCN1C(=O)Cc2cc(-c3nc(NS(=O)(=O)c4ccc(C(=O)O)cc4)sc3C)ccc21 1859570461 MJHSOQGLCAAOQM-UHFFFAOYSA-N 457.533 3.527 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NC2=NCCS2)sc(C)c1-c1ccc(Cl)cc1 1860767665 BKFYVYCRMXVIJL-UHFFFAOYSA-N 451.957 3.711 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864020469 ZODXLIZEDWWXJH-LJQANCHMSA-N 468.941 3.720 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(CO)CC4)nc(-c4ccccc4)n3)CC2)cc1 1867972631 WTVLMHUVRVPCOA-UHFFFAOYSA-N 459.594 3.688 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(C(C)C)n3)CC2)cc1 1869097406 KLTMRGMEGCEJAE-UHFFFAOYSA-N 476.629 3.677 10 10 JHCE COCCCNC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2OC)sc2c1CCCC2 1871343417 JXMMLVUXYWKXEG-UHFFFAOYSA-N 473.016 3.856 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873168286 PRGVXHQTKHXHKT-UHFFFAOYSA-N 480.572 3.646 10 10 JHCE Cc1c(N2C(=O)C(=C3C(=O)Nc4ccc(Cl)cc43)SC2=S)c(=O)n(-c2ccccc2)n1C 2297329737 NAPUWMHZBIBHON-UHFFFAOYSA-N 482.974 3.866 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 2297499671 TXZJWJNQPRNZOU-UHFFFAOYSA-N 479.518 3.570 10 10 JHCE CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nccs2)cc1 2297511186 IQDVRQRXWTZUGJ-UHFFFAOYSA-N 457.512 3.802 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 2314414796 MQASXTWMJVCJEE-MRXNPFEDSA-N 472.636 3.985 10 10 JHCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(c3ccccn3)N=C2C)cc1OC 2332139356 XNVSSLIKCKKCGB-UHFFFAOYSA-N 450.539 3.924 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)c(C)c1 11857647 HRVPDYQZVCUBQH-ZDUSSCGKSA-N 459.549 3.672 10 10 JHCE CC(=O)N1CCCc2cc(S(=O)(=O)NCCc3cc(C)n(-c4ccccc4)c3C)ccc21 15365174 UWLJDHOJTQFLSN-UHFFFAOYSA-N 451.592 3.914 10 10 JHCE 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CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030173 DYFGLFJBGUJCLW-QFIPXVFZSA-N 494.567 3.997 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865030221 GHUUYHSUTLTFOS-QFIPXVFZSA-N 490.560 3.777 10 10 JHCE C[C@H](NC(=O)CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)C1CCCCC1 1866249986 WBBJRRRIKRXFSI-UQBPGWFLSA-N 453.631 3.947 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C(C)=C/c3cccc(Cl)c3)CC2)cc1 1868751171 GKWDHGKZJRYVOK-FBMGVBCBSA-N 455.986 3.996 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1 2053493932 IFEIJYPCKUODOU-UHFFFAOYSA-N 487.585 3.716 10 10 JHCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2294095642 XQMQYEIDKDDDNV-UHFFFAOYSA-N 480.816 3.693 10 10 JHCE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(OC)cc4)SC3=S)C2=O)cc1 2314832229 CMCNCOWRFPVGBQ-SFHVURJKSA-N 468.556 3.627 10 10 JHCE COc1cc(C=C2SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc(Br)c1O 2323808616 BRYUCGKZNXZWKR-SNVBAGLBSA-N 478.411 3.571 10 10 JHCE CCC(=CC(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1ccc(OC)cc1 2329514607 NFWDBWZGPDNBDB-MHZLTWQESA-N 479.621 3.987 10 10 JHCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OC 2946920 WDDQBFQMBHLELE-DHDCSXOGSA-N 459.296 3.831 10 10 JHCE Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)/C(=C3\C(=O)Nc4ccccc43)SC2=S)c1 3079171 YABPKZSZHYBPHC-FMQUCBEESA-N 467.572 3.752 10 10 JHCE O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 38645426 QGRUSHLHTRXJTH-PYCFMQQDSA-N 498.649 3.589 10 10 JHCE Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCc3ccc(N(C)C)cc3)c3ccccc32)cc1 64971503 AUIJMNKDCWTRCC-UHFFFAOYSA-N 471.561 3.763 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)C/C=C/c3ccc(Br)cc3)cc2)CC1 1625198329 DRZUYCHECROIFP-NSCUHMNNSA-N 456.384 3.837 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)c4ccc(C(F)(F)F)cc4)C3)CC2)cc1 1858382559 NKHOGOIDABCIBT-SFHVURJKSA-N 461.484 3.525 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCc4nc5ccccc5[nH]4)c4ccccc34)[C@@H]21 1860347590 ZWUFSLRKVVIWNG-MUUNZHRXSA-N 490.567 3.981 10 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COc1cc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1OC 108862192 FWKPVZJRUWKQLW-PJWLZQLFSA-N 468.550 3.779 10 10 JHCE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NCc1cc(Cl)cc(Br)c1O 708110772 HDLDQRXBZDPIQF-DPAVQSFQSA-N 461.784 3.968 10 10 JHCE COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1858074965 YOBWNSPQSCZOEN-FQEVSTJZSA-N 452.020 3.920 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3ccccc3OCC(C)C)CC2)cc1 1862055867 OKXMFSAWTJCJPX-UHFFFAOYSA-N 453.583 3.587 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)COc3ccc(C)cc3C(C)(C)C)CC2)cc1 1862170197 CXAIUKRAHQQKAB-UHFFFAOYSA-N 481.637 3.924 10 10 JHCE Cc1ccc(-n2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)cc1 1866283597 QVHIDOWXUKFHBQ-VWLOTQADSA-N 473.621 3.872 10 10 JHCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(N(C)C)ccc3[nH]2)N2CCCCC2)cc1 1866504185 IULDQGLMHZKSNO-VWLOTQADSA-N 461.610 3.617 10 10 JHCE C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866937054 SSEBNMZDALHPFL-DLPLYFIVSA-N 456.473 3.848 10 10 JHCE CCCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868759853 AECHWOMLTZOHPE-VWLOTQADSA-N 489.620 3.827 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCC(C)C)nc(Nc4ccc(N(C)C)cc4)[nH]3)CC2)cc1 1871693257 ZUWGGBHRPAZVDD-UHFFFAOYSA-N 476.629 3.506 10 10 JHCE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1[N+](=O)[O-] 2294235362 GVBACBMVCFBYHZ-UHFFFAOYSA-N 476.308 3.506 10 10 JHCE C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)C[C@@H](C)O1 2314399937 FFPKOLNBYKHXLA-CALCHBBNSA-N 492.626 3.710 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)ccc21 10785139 OZHDIRBLYOWMOX-HXUWFJFHSA-N 480.567 3.705 10 10 JHCE Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1Cl 39835722 KZUVDUMSNKRHTN-OQLLNIDSSA-N 487.946 3.734 10 10 JHCE Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2c(c1)OCCO2 105805627 IUNMMUZHOLGCFT-UHFFFAOYSA-N 461.562 3.974 10 10 JHCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 1311735737 NNYBYEQCIMXDIH-CJFMBICVSA-N 456.631 3.797 10 10 JHCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@H](C)CC#N 1705930650 RYZZPQSNWCUGHG-GOSISDBHSA-N 466.611 3.692 10 10 JHCE CCc1nc(N2CCN(Cc3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867957956 LZNKTWJCFUHYRM-UHFFFAOYSA-N 472.637 3.696 10 10 JHCE CC[C@@H](NC(=O)[C@@H](c1ccc(C)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868846252 SAQLGQLVTYFGCC-JWQCQUIFSA-N 451.611 3.987 10 10 JHCE CCCOC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872824939 LURDBDIKRMQKLA-UHFFFAOYSA-N 468.579 3.579 10 10 JHCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)cc3)C(=N)N21 2297345740 XNCQFUGXJAKJGF-UHFFFAOYSA-N 498.586 3.544 10 10 JHCE COc1ccccc1C=C1SC(=S)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O 2297477474 VKOXYQQITMQIBW-UHFFFAOYSA-N 459.505 3.539 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)Nc3ccccc3)C2=O)cc(Cl)c1OCC(=O)O 2297505124 KYSRULYKQYCWIK-UHFFFAOYSA-N 493.950 3.750 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1C 2313547989 IFWUBMKBDNVNIJ-UHFFFAOYSA-N 474.477 3.593 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C=Cc3ccccc3Cl)CC2)cc1 2330454503 ORKOFMSQMNCBAI-QFIPXVFZSA-N 472.010 3.612 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4cccc(C)c4)ccc3F)CC2)cc1 3022337 QUNWAUAMDMUZRY-UHFFFAOYSA-N 483.565 3.906 10 10 JHCE CC(C)[C@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)C(=O)Nc1ccc(O)cc1 606672108 QVJPRUHOPCMDPS-OVCORXIESA-N 469.588 3.616 10 10 JHCE Cc1cc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 774828433 ATHNHIHGZOBTED-UHFFFAOYSA-N 474.469 3.516 10 10 JHCE CC(=O)N1CCC(N(Cc2cncs2)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 1470556412 ULADASJOLBARJU-GOSISDBHSA-N 457.644 3.671 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3C(=O)c3ccc(C)cc3)cc2)CC1 1625192934 LFAITHOSYLIYDG-UHFFFAOYSA-N 455.558 3.825 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864020642 FAUFUKWEQIFIDI-NRFANRHFSA-N 496.995 3.974 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2314931397 NRGDLDKVXAGDLZ-KRWDZBQOSA-N 456.545 3.783 10 10 JHCE O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCC1 1228935 XIBYKSHWZINEJT-AABGKKOBSA-N 494.341 3.882 10 10 JHCE COc1ccccc1OCCn1cccc1/C=C1\C(=N)N2N=C(N3CCCCC3)SC2=NC1=O 20356556 XPNJXTPYTQQJQK-FHGPUEEUSA-N 478.578 3.638 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 35300250 SKNSWGWVUNZLOK-WOJGMQOQSA-N 466.588 3.845 10 10 JHCE Cc1cc(C)c2c(CC(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)coc2c1 39883670 VVXWLGUCLKRAAS-JOCHJYFZSA-N 454.592 3.874 10 10 JHCE CCOC(=O)CCCN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 40938725 ZXUVNVUTVMILMP-NXVVXOECSA-N 483.409 3.730 10 10 JHCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(O)cc2C(=O)O)C1=O 210494299 ITKMWWHDTSIKIB-LROCIMMESA-N 454.529 3.877 10 10 JHCE CC(=O)N(Cc1ccc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1)C1CC1 1674698762 NVRZJJTZYSMNIL-UHFFFAOYSA-N 458.509 3.634 10 10 JHCE COc1cc(CNCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(Br)c1O 1860718063 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CCOC(=O)c1c(C)sc(-c2c(-c3cc(C)ccc3C)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 8674016 WSROJSYJJJVFHA-UHFFFAOYSA-N 467.547 3.768 10 10 JHCE C[C@@H](NC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 15048504 VQJMQVIQHHNBAD-JXZQLDPRSA-N 456.545 3.658 10 10 JHCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1O 21270628 SLUAVZDUTJGYGK-ZROIWOOFSA-N 465.350 3.710 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)O)CC2)cc1 33253117 SZMPNLUIRXVLAY-UHFFFAOYSA-N 485.537 3.660 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1Oc1nc(Cl)ncc1F 33738338 IFCMBLFGXXLKGP-AWNIVKPZSA-N 469.903 3.746 10 10 JHCE CCOC(=O)c1ccc(Nc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])cc1 40611178 XXWZASHVEIZQAQ-UHFFFAOYSA-N 478.509 3.640 10 10 JHCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=N)N21 96460801 XNCQFUGXJAKJGF-IJFTXDGJSA-N 498.586 3.544 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)N[C@H](C)Cc3ccc(N(C)C)cc3C)c2C)C1=O 1670792523 QFSSWSJSISQQCE-QGZVFWFLSA-N 451.571 3.911 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864014389 UDDDDGRRTWEANZ-QFIPXVFZSA-N 492.576 3.676 10 10 JHCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864019483 ZVGFVJKSTLWVII-HXUWFJFHSA-N 452.555 3.578 10 10 JHCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651321 UZNSIXHDWJIIAN-UHFFFAOYSA-N 461.614 3.705 10 10 JHCE COc1ccc(N2CCN(Cc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)CC2)cc1 1872884120 LYDRBPJDSHIIQV-UHFFFAOYSA-N 459.546 3.676 10 10 JHCE CN(Cc1ccccc1O)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 2124178841 DELOSWCIMMAPPR-UHFFFAOYSA-N 453.583 3.910 10 10 JHCE CN(C)c1oc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br 2313557192 WSPKPHQYFOBICZ-UHFFFAOYSA-N 499.184 3.702 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccc(Br)cc3)CC2)cc1 2328572071 CEORNEJAMRVQKJ-QHCPKHFHSA-N 498.421 3.811 10 10 JHCE O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ccc2c(c1)OCO2 10732673 OCUVHMNXEBBQKD-UHFFFAOYSA-N 463.829 3.640 10 10 JHCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15048098 INEPWVCOJHMYJD-QJMZJAKPSA-N 485.425 3.800 10 10 JHCE CN(C)c1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1 35561415 PNYHALVTQDWIRX-UHFFFAOYSA-N 490.629 3.936 10 10 JHCE CCOc1ccccc1/C=C\C(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 96931204 JBTLMTCMMVZAKG-ADKTUHDWSA-N 482.583 3.845 10 10 JHCE CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)c3ccccc32)CC1 103555657 NNJAMJNDPYWQEI-ZHZULCJRSA-N 488.519 3.705 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1cccc(OC)c1OC 205949320 BRZWTQKROILPHE-DEDYPNTBSA-N 466.519 3.965 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N(C)Cc3ccc(N4CCCCC4)cc3)CC2)cc1 743357693 BZAJUXYOJNSTNL-UHFFFAOYSA-N 465.642 3.649 10 10 JHCE CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3nc(-c4ccccn4)cs3)cc21 917850095 OZVDNANACPGWAP-UHFFFAOYSA-N 479.381 3.677 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)c(Cl)c([N+](=O)[O-])c3Cl)c2)CC1 1567652809 RLBYSHJZBFWRGX-UHFFFAOYSA-N 455.273 3.962 10 10 JHCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 1772719515 AEZDMTGTKQBWJD-DGMAUBACSA-N 484.647 3.760 10 10 JHCE CCC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862042352 JCMHJSULNASHFS-NRFANRHFSA-N 474.399 3.705 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864009744 CRHZHRIMZHGQDV-HSZRJFAPSA-N 497.555 3.642 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864022346 LZIIKNIXYQGUSL-ABAIWWIYSA-N 468.476 3.578 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccs1 1865323354 DRHIOSOTDXIROT-JOCHJYFZSA-N 493.633 3.715 10 10 JHCE CC(C)COC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870848683 LBODDDSLJPQZDS-UHFFFAOYSA-N 465.550 3.774 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCCC3)CC2)cc1 1874642611 JKPZOCFYCZXJKG-SANMLTNESA-N 474.605 3.743 10 10 JHCE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1963399339 OPHFZCARMCDQMK-LJQANCHMSA-N 463.575 3.530 10 10 JHCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1CCCOc1ccc(Cl)cc1 2296933529 SEJNPJASPYAPJB-UHFFFAOYSA-N 453.882 3.866 10 10 JHCE O=C(COc1ccc([N+](=O)[O-])cc1)NN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)SC1=S 2297450263 HHHRVIXXJVRKCV-UHFFFAOYSA-N 483.449 3.925 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)Cc3cccc(Cl)c3)c3ccco3)CC2)cc1 38619305 QCSXRGIRDVEZFD-QHCPKHFHSA-N 490.025 3.925 10 10 JHCE O=C(O)CCC(=O)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O 39899493 WUPKWDLKAGCYJE-UHFFFAOYSA-N 481.096 3.790 10 10 JHCE CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 59415940 OQHDJKOAAXJADC-TZRRMPRUSA-N 494.503 3.649 10 10 JHCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@@H]43)C[C@H]2C)cc1 504246502 HORBAYPOSKXLJO-QNDXHQHRSA-N 454.611 3.731 10 10 JHCE biogenic CCOC(=O)c1c(NC(=O)C(=O)NCCCn2ccnc2)sc(C)c1-c1ccc(Cl)cc1 1860757956 CWTWGNJSFOYNLG-UHFFFAOYSA-N 474.970 3.895 10 10 JHCE Cc1ccc(C(=O)CN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1C 1860827054 PSZPLVWYCFAWIL-MRCUWXFGSA-N 480.567 3.579 10 10 JHCE CC[C@@](C)(NC(=O)CCc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861945379 RIRVDMCTBDGJEK-HHHXNRCGSA-N 451.611 3.878 10 10 JHCE CC[C@](C)(NC(=O)c1ccccc1OCC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862056338 WEUJIXMTJHUWQT-MHZLTWQESA-N 467.610 3.977 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCN(CC)CC)=C(N)O2 1864013777 FZOYMTSXNXVAAJ-QFIPXVFZSA-N 499.656 3.590 10 10 JHCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCC[C@@H]3CO)n2)cc1 1867996414 FNYLAIRKUWVCTK-HSZRJFAPSA-N 489.620 3.839 10 10 JHCE CCCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(OC)cc1 1869970739 WNXZVNQQUYZERL-UHFFFAOYSA-N 464.570 3.740 10 10 JHCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1873166996 NOUVZRHXFSXDKJ-UHFFFAOYSA-N 490.991 3.753 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873168491 WXYWKZFMKYBVLJ-UHFFFAOYSA-N 480.572 3.646 10 10 JHCE COCC(C)(C)N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2200967273 AELABVXNQBBDIQ-FQEVSTJZSA-N 472.582 3.987 10 10 JHCE CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 2297363143 LIAWXIIZRJKYHG-UHFFFAOYSA-N 450.234 3.967 10 10 JHCE CCCCOC(=O)CN1C(=O)/C(=C2\C(=O)N(CC)c3ccc(Br)cc32)SC1=S 1781824 ZVBXMGQUVZOLQQ-FOCLMDBBSA-N 483.409 3.730 10 10 JHCE COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1 8608566 WJJANDBOMCASEY-VWLOTQADSA-N 451.592 3.844 10 10 JHCE COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(N5CCCC5)cc4)no3)CC2)cc1 33283348 UBVLUXAFKOBSRT-UHFFFAOYSA-N 461.566 3.627 10 10 JHCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCC(=O)O)C1=O 39836148 HPJOJQDMJVTOBA-SFQUDFHCSA-N 481.555 3.780 10 10 JHCE Cc1cc(CCNC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)c(C)n1-c1ccccc1 746427945 ZYZBRKYUNOOCIM-UHFFFAOYSA-N 488.617 3.926 10 10 JHCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1 1858591166 ZXORGMKDEWAVMA-LFIBNONCSA-N 483.434 3.540 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2)c1 1860849254 OCTNXTPGAQOEAO-UHFFFAOYSA-N 482.581 3.655 10 10 JHCE CCCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861909394 DJKZAQJVZBPNNI-JOCHJYFZSA-N 468.554 3.549 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864017113 FTTQCQRFPOWEMT-XMMPIXPASA-N 496.567 3.899 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864020981 JUXSCUWUUZXESE-OAQYLSRUSA-N 480.540 3.663 10 10 JHCE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1865032033 UFJMXSSSJXKOFC-QFIPXVFZSA-N 495.539 3.663 10 10 JHCE Cc1cc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867870222 OEYSTTZTTSXNMX-XMMPIXPASA-N 495.624 3.821 10 10 JHCE COc1ccc([C@@H](C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868859945 WBUKMPAHKVBGCA-DEOSSOPVSA-N 467.610 3.687 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(Cl)cc4)cn3C[C@@H](C)O)CC2)cc1 1870439340 ACTYVDYAYRXYMM-HXUWFJFHSA-N 498.023 3.792 10 10 JHCE CCc1ccc(Nc2nc(=NCc3ccncc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584340 KLPWARFQWFGBCR-UHFFFAOYSA-N 496.619 3.942 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(NCCCOCC)nc3ccccn3c2=O)SC1=S 2040498200 FFXWWLIGAKTRBD-UHFFFAOYSA-N 460.625 3.924 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)c(OC)c1 2294093807 RFMVSHFCMYFNLC-UHFFFAOYSA-N 470.279 3.614 10 10 JHCE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)N(CCO)Cc1ccccc1 2296881482 JVMDYTZHMJORJY-UHFFFAOYSA-N 491.432 3.671 10 10 JHCE O=C(O)CCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15044720 MMBPPLKPHYVQTH-QINSGFPZSA-N 485.425 3.802 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(NC3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 33511133 OKKNXTGUDIBJGI-NBVRZTHBSA-N 472.636 3.985 10 10 JHCE C=CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33781531 IYGKAWCLFSULQD-ATVHPVEESA-N 452.536 3.833 10 10 JHCE Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)N[C@]4(CCSC4)C3=O)c2C)ccc1Br 98065940 WAFHSEYTTUQRBB-NRFANRHFSA-N 476.396 3.775 10 10 JHCE COCCN1C(=O)/C(=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)SC1=S 213210591 RWDZXEWQJIDMTF-AQTBWJFISA-N 467.572 3.951 10 10 JHCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526468293 CVHUMBVMBUGANH-HSZRJFAPSA-N 477.469 3.959 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N(Cc3ccco3)Cc3ccccc3O)CC2)cc1 726246619 GBKFXPMCCYGFRU-UHFFFAOYSA-N 464.566 3.528 10 10 JHCE CCCOc1ccccc1C(=O)N[C@H](CCC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862060123 TUBWLQQRABXCFY-HSZRJFAPSA-N 453.583 3.731 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)c3ccc4nc(-c5cccc(C)c5)[nH]c4c3)CC2)cc1 1862096037 BDIKCTIFSPWIKR-UHFFFAOYSA-N 483.572 3.626 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCCO5)n(-c4ccccn4)n3)CC2)cc1 1862362413 IFRAPVGKYPADKP-UHFFFAOYSA-N 497.555 3.677 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864022856 ZEDNJVGMPBTVBH-JOCHJYFZSA-N 476.577 3.710 10 10 JHCE CCOC(=O)c1c(NC(=O)COCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1866081485 DNMZWNDQERAXNX-UHFFFAOYSA-N 456.314 3.702 10 10 JHCE COc1ccccc1NCCC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866890127 JJXGLWHCIGWQEL-UHFFFAOYSA-N 485.540 3.806 10 10 JHCE CCOc1ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867529828 LLADIFMQKHWLFE-NLFFAJNJSA-N 466.626 3.613 10 10 JHCE COCCN(CCOC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(F)cc2)n1 1867987520 QXPKFEUASPHXGK-UHFFFAOYSA-N 495.599 3.717 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)CCc4ccccc4OC)n(C(C)(C)C)n3)CC2)cc1 1869969945 AYPORJNRZIMGEC-UHFFFAOYSA-N 492.624 3.948 10 10 JHCE CCN1C(=O)C(=Cc2nc3ccc(I)cc3c(=O)n2CC)c2ccccc21 2296691884 UGBMCEUWOAKPJW-UHFFFAOYSA-N 471.298 3.928 10 10 JHCE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)SC1=S 2296710609 COSGPRGEOWAUGV-UHFFFAOYSA-N 497.598 3.671 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1 2314759374 CQVPVHINJFSUPG-UHFFFAOYSA-N 492.619 3.543 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3cccc(Cl)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 8830962 IFLHIERDWMQXGM-UHFFFAOYSA-N 473.938 3.805 10 10 JHCE Cc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 20356682 YPWVPGDFFXVEIQ-ZQMBLQFGSA-N 468.970 3.656 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=N)N21 32961230 LOVGXHHYKZPWJJ-XCGHDDSDSA-N 462.940 3.920 10 10 JHCE COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 33332291 KHIYGTICPRMUHQ-HYARGMPZSA-N 454.567 3.843 10 10 JHCE CC(C)c1ccc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 33480604 NCYAFPVCQYIYEI-CVDCTZTESA-N 458.624 3.859 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)c1 34720466 YWDQBNALHQJMLS-BFQBXFRASA-N 493.610 3.731 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)SC1=S 39835843 QYZQKKUMQTUELG-QGOAFFKASA-N 467.572 3.951 10 10 JHCE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990328 CPAAKGPZFAYUCX-RGEXLXHISA-N 474.652 3.666 10 10 JHCE Cc1nc(-c2csc(S(=O)(=O)NCc3ccc(N(C)C)cc3)c2)sc1C(=O)N1CCCC1 65117055 GQBVBVHQPRWPEC-UHFFFAOYSA-N 490.676 3.961 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccc(C)cc4)c4ccccn34)CC2)cc1 1858223801 FXHCGRVWVNTRSF-UHFFFAOYSA-N 483.572 3.544 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cccc(F)c4)c4ccccn34)CC2)cc1 1858237232 FQPCTDOSUXCBEY-UHFFFAOYSA-N 473.508 3.697 10 10 JHCE CCN(CC)c1ccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1858590597 AAAFSZHHNWGYTL-HMMYKYKNSA-N 475.661 3.624 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864018353 JBLKPEHKDZMLSR-HXUWFJFHSA-N 482.968 3.779 10 10 JHCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864021986 SRFJBLAXACWOCE-NRFANRHFSA-N 462.550 3.504 10 10 JHCE CCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165023 DOWWOOCTYLBDQG-UHFFFAOYSA-N 459.546 3.871 10 10 JHCE COC(=O)Cc1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873950194 DDFLXXZZRLNNBD-UHFFFAOYSA-N 492.535 3.929 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3ccccc3)CC2)cc1 1891841791 VMRDWTBBBZLFKT-CLJLJLNGSA-N 455.558 3.955 10 10 JHCE O=C(COC(=O)CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1cccc([N+](=O)[O-])c1 2053498853 UAZOYVXSSIDERS-UHFFFAOYSA-N 497.554 3.924 10 10 JHCE COc1ccc(Br)c(CNC[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1O 2236056086 SZKQVFDXJWPKHM-SNVBAGLBSA-N 457.287 3.956 10 10 JHCE CC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 2296663388 IGIPRIFDZBDJTD-HNNXBMFYSA-N 497.809 3.574 10 10 JHCE O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 2297359854 QINPXDCSPRVFKM-UHFFFAOYSA-N 452.879 3.870 10 10 JHCE COc1ccc(N2N=C(C)C(=C(C)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)C2=O)cc1 2313681576 IIAFZULUHXFSAN-UHFFFAOYSA-N 477.546 4.000 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 15036074 XEAGMGHIGVQCLA-DHDCSXOGSA-N 477.361 3.987 10 10 JHCE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1OCc1ccc2c(c1)OCO2 20154836 IJOUOMSXLRNKIK-PASMBLJUSA-N 482.543 3.943 10 10 JHCE CNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 33447156 CMYIJWQZMBBYTP-CPNJWEJPSA-N 496.614 3.506 10 10 JHCE COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)N(c2ccccc2)C1=O 33887869 RECQXBMURSEBOI-HYARGMPZSA-N 487.512 3.848 10 10 JHCE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@@H](NC(C)=O)CCO3)cs1 170549526 AAWXATOGEJCNRB-KRWDZBQOSA-N 473.576 3.888 10 10 JHCE CN(CCC(=O)O)C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586619773 DAMNGMOZHPDKBA-UHFFFAOYSA-N 471.469 3.653 10 10 JHCE CCN(CC)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4)NN32)cc1 588227157 PAQHTNJAMLQHOF-VWLOTQADSA-N 469.614 3.609 10 10 JHCE CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858592236 JQQNCJADGFPWKZ-NAVNFMRLSA-N 464.609 3.778 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCCCOc3ccccc3C)CC2)cc1 1872637251 TVWQHQMVRMQSIY-UHFFFAOYSA-N 480.565 3.516 10 10 JHCE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1I 2294208496 KLIXGABTZFGXBY-UHFFFAOYSA-N 498.729 3.785 10 10 JHCE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2533225 DRHQFSVYYDUKNG-QURGRASLSA-N 479.627 3.764 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3cccnc3SC)c3ccco3)CC2)cc1 38598134 KUPVCMFUYDSJKG-OAQYLSRUSA-N 452.580 3.698 10 10 JHCE CCCC[C@@H]1OC(=O)N[C@@H]1c1cc(I)cc(I)c1O 575260260 YLNBNFMTPDCTHD-WDEREUQCSA-N 487.075 3.941 10 10 JHCE O=C(Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 731402291 WSMFAKARYSKKEV-SFTDATJTSA-N 474.579 3.558 10 10 JHCE COc1cccc(OCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 1860591257 NTQSYYMNSUNJBV-UHFFFAOYSA-N 498.535 3.727 10 10 JHCE CCC[C@H](NC(=O)Cc1cc(OC)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861898771 ZAVKLYVNEWMVRU-QHCPKHFHSA-N 474.001 3.533 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864011996 OQXVLOODNGRLTJ-ASSNKEHSSA-N 482.968 3.914 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864016367 NHGBBRFAWAPGNQ-HXUWFJFHSA-N 462.550 3.982 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864017082 FBBODCLLDWEDGR-FQEVSTJZSA-N 478.549 3.601 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCCN1CCOCC1 1865665563 ALBRSWSVOSRTIQ-XDJHFCHBSA-N 455.942 3.866 10 10 JHCE CC(C)CN1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1865877211 ACFYVXRQKBPXEP-RUZDIDTESA-N 476.621 3.962 10 10 JHCE Nc1ccc(Cc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)cc2)cc1 1866007452 SHGHFVSKAAUBSO-UHFFFAOYSA-N 485.993 3.786 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970439 SKZQUMJTLDHMAT-UHFFFAOYSA-N 498.587 3.928 10 10 JHCE CCCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870562789 WOGNBQKEGAYVGL-UHFFFAOYSA-N 466.582 3.773 10 10 JHCE CC(C)NC(=O)COc1cn(CCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870946417 GRWNUOBRRQJAKE-UHFFFAOYSA-N 477.609 3.669 10 10 JHCE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2293039595 RLFNNKYDXNHKMR-UHFFFAOYSA-N 494.348 3.903 10 10 JHCE O=C(O)CCOc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1 2314930848 KBSGEEFJEKGVNN-UHFFFAOYSA-N 462.936 3.740 10 10 JHCE COc1ccc(N2CCN(c3ccc(C(=O)O)cc3NS(=O)(=O)c3cccc(F)c3)CC2)cc1 32961941 KXEMBHOWTTTXSG-UHFFFAOYSA-N 485.537 3.660 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)NCCCCCC(=O)O)C2=O)ccc1O 210726611 MMYCNLQXPBOSJS-NBVRZTHBSA-N 480.608 3.534 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)sc(C)c1-c1ccc(OCC)cc1 1860748284 WKNSWFZVMCTLTB-UHFFFAOYSA-N 495.557 3.975 10 10 JHCE CC[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862182044 NCKRFKFWLCTZPU-QFIPXVFZSA-N 474.001 3.588 10 10 JHCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864018243 GPCBQVGMQYAIBA-LJQANCHMSA-N 468.941 3.541 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1865028751 ZRLYYXFGIVZYKU-MWTRTKDXSA-N 474.561 3.996 10 10 JHCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865035056 KGJRMKSTERKWCX-NRFANRHFSA-N 480.540 3.607 10 10 JHCE CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)CCN1C(=O)CSC1=S 1865767692 DRTYCZFHFSQLSI-UHFFFAOYSA-N 479.561 3.689 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccnc(Cl)c4)n(-c4ccccc4)n3)CC2)cc1 1869970968 VPAZHWFCRKVCKD-UHFFFAOYSA-N 489.967 3.903 10 10 JHCE COC(=O)C1CCC(CNC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)CC1 1872884051 IMMAPMPOPUOBTJ-UHFFFAOYSA-N 479.621 3.727 10 10 JHCE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 1873165377 LYTAETUIFKBHCM-UHFFFAOYSA-N 489.572 3.627 10 10 JHCE CCOCCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169417 NNKQFDCXSOKSHF-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)c(OC)c3)C(=N)N21 2297345626 NIUJUQVBSZVONL-UHFFFAOYSA-N 498.586 3.594 10 10 JHCE N=C1C(=Cc2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352719 PAFHNMKCSOYMPS-UHFFFAOYSA-N 476.518 3.846 10 10 JHCE O=C(O)CCCN1C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842245 JRHWKMUETSQIHJ-UHFFFAOYSA-N 474.535 3.909 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)O 2314932061 JVXUIZCRSMXHPD-UHFFFAOYSA-N 492.962 3.748 10 10 JHCE Cc1c(N2C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314933146 UGHUSAJPTCKNFA-OAHLLOKOSA-N 495.582 3.742 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(F)c(Cl)c3)c3ccco3)CC2)cc1 38619335 NMJRWJMUIHEEQH-JOCHJYFZSA-N 493.988 3.923 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CCC5)o4)s3)CC2)cc1 64920604 GDDMZOVKQUMWFB-UHFFFAOYSA-N 460.581 3.585 10 10 JHCE COc1ccc(N2CCN(C(=O)CC3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)CC2)cc1 65062011 WBNYFTBXZAFOOI-UHFFFAOYSA-N 498.070 3.550 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccccc1I 103246585 MSNQBCQHLNMINJ-FMIVXFBMSA-N 467.650 3.523 10 10 JHCE CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1 823022411 HSEOHSUVMXKZOO-CYBMUJFWSA-N 490.899 3.659 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864019146 HANGLTWVIKUMEH-NRFANRHFSA-N 462.550 3.516 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccccn3)CC2)cc1 1870437360 RZZYJOGTDREPQG-UHFFFAOYSA-N 462.594 3.657 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@H]3C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873169540 CPUHEFACNYKIRG-CJFMBICVSA-N 490.648 3.675 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(C(=O)O)c2I)c(O)c1 2080039235 VHFPYUAYDGKNQE-HNNXBMFYSA-N 468.291 3.951 10 10 JHCE CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)NC2=S)cc1 2296390191 ZUBUBPYXFIWBMA-UHFFFAOYSA-N 462.483 3.875 10 10 JHCE COc1cc(C=C2C(=N)N3C=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347331 LTUIFKAKEFTWBL-UHFFFAOYSA-N 478.530 3.888 10 10 JHCE O=C(COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl)Nc1ccccc1 2297362614 JYFIUASCULFDJG-UHFFFAOYSA-N 491.887 3.730 10 10 JHCE O=C(O)C=CC(=O)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O 2314592683 CQNRURNVTYPRIC-UHFFFAOYSA-N 479.080 3.566 10 10 JHCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)C(=O)O 2314932734 PFDBQYQVWANPFY-INIZCTEOSA-N 456.545 3.783 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)O)CC2)cc1 33253108 IKDKWHRSWMSXEQ-UHFFFAOYSA-N 485.537 3.660 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)c3ccco3)CC2)cc1 38598175 NTAZHXHXPSWDTI-QHCPKHFHSA-N 464.522 3.798 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c3ccco3)CC2)cc1 38619758 GXZPUEVWICMOTI-HSZRJFAPSA-N 496.995 3.868 10 10 JHCE Cc1cc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 108416616 QKQLESZFEXQMEG-CQSZACIVSA-N 476.396 3.995 10 10 JHCE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CC1CCS(=O)(=O)CC1 1705881629 WCGNNOOUDOWGLK-UHFFFAOYSA-N 497.665 3.816 10 10 JHCE Cc1csc2nc(Cl)c(CNCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n12 1860716979 NFWFTZOFFQSZPD-UHFFFAOYSA-N 464.934 3.861 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccccc3F)c3ccccc3)CC2)cc1 1862249546 PMNWBDNHTSLRQT-SANMLTNESA-N 461.537 3.583 10 10 JHCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007477 NSFABRWLCAQSGM-VWLOTQADSA-N 496.567 3.954 10 10 JHCE C[C@@H]1CCCC[C@H]1NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016820 YAESEUKRPSZMCJ-FPDPHYFHSA-N 474.561 3.888 10 10 JHCE CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)c(C(=O)O)c1 1865880922 ZCPBJNWBLCOGLO-UHFFFAOYSA-N 472.453 3.724 10 10 JHCE COc1ccc([C@@H](n2nc(C3CC3)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2080001789 NTMDJHKRAYXMSH-MRXNPFEDSA-N 467.307 3.568 10 10 JHCE Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 2294199345 VLHPEUNBQPFLRF-UHFFFAOYSA-N 450.447 3.924 10 10 JHCE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)SC1=S 2296820139 ZUTDAWTWLZTAEP-NSHDSACASA-N 460.514 3.685 10 10 JHCE COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1 2296945926 WHMMIYUIVFHMCS-UHFFFAOYSA-N 463.465 3.917 10 10 JHCE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccccc1 2297508707 ARMKJZLVAHSXMI-UHFFFAOYSA-N 477.586 3.632 10 10 JHCE COc1ccc(OC)c(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 2297554763 ZCXWRXIGDQYBPS-UHFFFAOYSA-N 462.465 3.749 10 10 JHCE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)c1 2314817693 SAKHIIRRLOEEAR-UHFFFAOYSA-N 456.574 3.677 10 10 JHCE Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 20206418 OIMSMEZMJULONL-UJADIJFVSA-N 475.983 3.677 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N1CCN(c2ccccc2)CC1 35625394 FLPQVEUXPBKCGV-SILNSSARSA-N 455.580 3.766 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1)C(=O)c1ccc(OC)cc1 35960317 UYCLSVXVXBYOHZ-SANMLTNESA-N 488.588 3.809 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(OCC)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 86076778 ZNFRAYQLQJXWFR-UHFFFAOYSA-N 469.519 3.540 10 10 JHCE CNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 97494958 LXWRGHCQBJQCBB-NBVRZTHBSA-N 450.589 3.879 10 10 JHCE CCOc1ccc(N2C(=O)C[C@H](N3C(=O)/C(=C/c4ccc(OC)cc4)SC3=S)C2=O)cc1 101974219 CMCNCOWRFPVGBQ-IZILLXMLSA-N 468.556 3.627 10 10 JHCE CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862207353 NDCQSTZAUVYDMX-WZONZLPQSA-N 474.001 3.750 10 10 JHCE CCC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 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COc1ccc(N2CCN([C@H](CNC(=O)c3c(C)nc4ccccn34)c3ccco3)CC2)cc1 38598152 ICFUWMBMQCHFAI-JOCHJYFZSA-N 459.550 3.538 10 10 JHCE COc1ccc(N2CCN(c3ncnc(N4CCC(Cc5ccccc5)CC4)c3N)CC2)cc1 40727631 BJLUITLAWQNLGV-UHFFFAOYSA-N 458.610 3.853 10 10 JHCE CCCCn1c(N)c(N(Cc2ccco2)C(=O)/C=C\c2cc(C)n(CCC)c2C)c(=O)[nH]c1=O 96817388 HJQJDTHLZJDGII-KHPPLWFESA-N 467.570 3.587 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864007535 PATSKMIUPZEAML-QHCPKHFHSA-N 486.503 3.742 10 10 JHCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1865027734 KCBDNSNAXUYFHX-HSZRJFAPSA-N 492.576 3.944 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865032732 JJGGGVNTYUFJEJ-JOCHJYFZSA-N 474.561 3.530 10 10 JHCE COc1cc(/C=C2/C(=O)N(Cc3cccc(Cl)c3)N=C2C)ccc1OCCN1CCOCC1 1865665838 OATSQWKKSKIMQS-PXLXIMEGSA-N 469.969 3.861 10 10 JHCE CCCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)CC1 1867969350 WPGYOQJAEZGYHT-UHFFFAOYSA-N 452.647 3.641 10 10 JHCE 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JHCE C[C@H](NC(=O)CCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 15038701 ILSRPKQMAFVLSF-RVAQLADHSA-N 456.545 3.660 10 10 JHCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O 16912046 IDKBKNWTNIULAI-GZTJUZNOSA-N 492.962 3.748 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ccc(-c5ccc(F)cc5)nn4)C3)CC2)cc1 22483448 SEEKVJVKONQPJD-OAQYLSRUSA-N 475.568 3.857 10 10 JHCE COCCN1C(=O)/C(=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)SC1=S 33571716 WSPROEBCXUIFBF-QGOAFFKASA-N 467.572 3.951 10 10 JHCE COc1ccc(N2CCN(c3ncnc(Nc4ccc(Br)cc4)c3N)CC2)cc1 40727775 NOQQMKRAHFTBHW-UHFFFAOYSA-N 455.360 3.900 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864007921 XQNLRBIAOGZMIP-MPBGBICISA-N 468.941 3.855 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccncc5)C4)nc(C(C)C)n3)CC2)cc1 1869095113 FELLLMMIYOOHKK-DEOSSOPVSA-N 474.609 3.908 10 10 JHCE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccccc2)[nH]1 1871600331 BBGMYJKPCWAKCV-UHFFFAOYSA-N 461.614 3.786 10 10 JHCE 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3.833 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@H]2c1ccc(O)c(O)c1 1864016764 WUWIRTPKMWDXMN-NRFANRHFSA-N 486.503 3.648 10 10 JHCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864019416 YGDBEYXGVXSRAP-FQEVSTJZSA-N 482.968 3.778 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cn(CCCCc4ccccc4)c(=O)cc3O)CC2)cc1 1870120501 ZKMIURWVQCLXKD-UHFFFAOYSA-N 461.562 3.548 10 10 JHCE Cc1cc(C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)c(C)n1-c1ccc(OC(F)F)cc1 2069538580 ACJCJPDZOODKGY-UHFFFAOYSA-N 459.474 3.836 10 10 JHCE CC1CCN(C(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)CC1 2326945265 DQMIHSYAEAMRLB-UHFFFAOYSA-N 485.631 3.966 10 10 JHCE Cn1nc(Br)c(Br)c1CNCc1ccc(Br)cc1O 2339051610 ZNKGXQCVBHYKHT-UHFFFAOYSA-N 453.960 3.703 10 10 JHCE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526602584 USXGAIGBAQWDPA-QFIPXVFZSA-N 493.443 3.867 10 10 JHCE Brc1cc(CNC[C@@H]2CN(Cc3ccncc3)CCO2)ccc1N1CCCCC1 1474227647 APYCUHBVTIBTJI-OAQYLSRUSA-N 459.432 3.825 10 10 JHCE CC(=O)N1CCC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2ccccc2O)C1 1596051349 MDCXHBPECOLBTD-QGZVFWFLSA-N 454.962 3.594 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)cc2C)C1 1722757325 SHBLNLXZZXWUIW-NRFANRHFSA-N 466.655 3.658 10 10 JHCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)cc1 1858590686 DTQWAXPYQHSMQC-XSFVSMFZSA-N 454.598 3.931 10 10 JHCE COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1OC 1860589167 MHJZDERWOYQYBZ-UHFFFAOYSA-N 498.535 3.970 10 10 JHCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864015956 XQXBDMYILVFZQN-HXUWFJFHSA-N 462.550 3.837 10 10 JHCE CC(=O)NCCN1C(=O)C(Nc2cccc(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422198 KXDXVLJWGAPTBW-UHFFFAOYSA-N 460.509 3.561 10 10 JHCE N=c1[nH]n(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079176059 AYPSDHOVPUWPRZ-UHFFFAOYSA-N 451.108 3.692 10 10 JHCE CCc1ccc(C=C2SC(=S)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 2296881462 IRMAVOHMWGSSGS-UHFFFAOYSA-N 451.617 3.799 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)c1 2296885219 JTPDPPMZWVSVBT-UHFFFAOYSA-N 456.589 3.702 10 10 JHCE CC(=O)NC1=NC(=O)C(=C2C(=O)N3c4c(cc(OC(=O)c5ccccc5)cc42)C(C)=CC3(C)C)S1 2313670794 WXMQUGWAGHJNJT-UHFFFAOYSA-N 487.537 3.925 10 10 JHCE COCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314413627 COSMPNLCPZKEBG-UHFFFAOYSA-N 498.605 3.992 10 10 JHCE Cc1cc(I)ccc1N=NN1CCN(c2ccc([N+](=O)[O-])cn2)CC1 2330234505 JLEFCRGYXSZUIQ-UHFFFAOYSA-N 452.256 3.724 10 10 JHCE Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)o2)cc1Cl 103235855 GYTHJRGBJPPIOJ-UXMLFEQVSA-N 497.964 3.776 10 10 JHCE COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)[C@H](NC(C)=O)CCO3)cs1 170549527 AAWXATOGEJCNRB-QGZVFWFLSA-N 473.576 3.888 10 10 JHCE O=C(c1cccc(O)c1)N1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 725842570 BNEXGYWQNIAVLX-XMMPIXPASA-N 483.528 3.898 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccccc3OC)CC2)cc1 1862053725 YVZXOGPAYCYNCR-VWLOTQADSA-N 491.563 3.533 10 10 JHCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007798 VILCTYCFRCYVBR-DEOSSOPVSA-N 482.540 3.911 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864020309 ANPYHLIQYFDUKF-HXUWFJFHSA-N 482.968 3.931 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022192 VPQCDUZAEKUZFL-IVZQSRNASA-N 492.576 3.847 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864022348 LZIIKNIXYQGUSL-IAQYHMDHSA-N 468.476 3.578 10 10 JHCE CCN(CC)c1ccc2[nH]cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866473571 WCHVEYIOUPMKEC-XMMPIXPASA-N 472.593 3.693 10 10 JHCE CCc1ccc(COc2cn(CCOC)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870463669 JAGIQZSIZGNZGC-UHFFFAOYSA-N 491.632 3.967 10 10 JHCE CCCCCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870511165 PVIKIGBSQMWKCR-UHFFFAOYSA-N 498.668 3.663 10 10 JHCE CCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870556159 HQHNQTHEFVPQQF-UHFFFAOYSA-N 495.576 3.548 10 10 JHCE O=C(CCC(=O)N1CCO[C@@H](c2ccccc2)C1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179480 GPECTGPGTJLCQZ-HSZRJFAPSA-N 468.509 3.781 10 10 JHCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1cccc(OC(F)F)c1 2042449819 WMFJKXLTDSFYKJ-UHFFFAOYSA-N 478.498 3.648 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1OC 2296881775 ZUXRHHIOHWDEML-UHFFFAOYSA-N 472.544 3.632 10 10 JHCE CCOC(=O)CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(Br)cc32)SC1=S 2314761900 ZXUVNVUTVMILMP-UHFFFAOYSA-N 483.409 3.730 10 10 JHCE O=C(CCN1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S)Nc1ccc(C(=O)O)cc1 2314827380 CTMVBIGLLZCCMC-UHFFFAOYSA-N 462.936 3.974 10 10 JHCE COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/c3cc(Br)ccc3OC)C2=O)c1 17086544 UMTREGARSHQSJV-ZROIWOOFSA-N 461.268 3.982 10 10 JHCE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2cc(O)ccc2O)cc1 20898606 AMJISXIYLMPLLU-QHCPKHFHSA-N 496.523 3.630 10 10 JHCE N=C1/C(=C/c2cc(Br)ccc2O)C(=O)N=C2SC(COc3ccccc3)=NN12 27546790 FRDJPAKMJFMGRJ-PBGDOYKQSA-N 457.309 3.853 10 10 JHCE Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 101993286 KUDPOBLZUMIZMF-BHIFYINESA-N 455.441 3.829 10 10 JHCE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]32)cc1 253560135 AKTDOMMTCABGMC-VSKRKVRLSA-N 482.448 3.598 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC[C@H]1NC[C@@H]2C[C@H]1CN(Cc1ccccc1)C2 257177095 AWAQVZBHKDCOEK-HPUNYJORSA-N 490.692 3.762 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)nc1-c1ccc2c(c1)CCC(=O)N2C 1859573508 SAOMABCHHQSSQT-UHFFFAOYSA-N 476.511 3.876 10 10 JHCE CCCC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862235663 NWPLDTCFUFMFQE-AREMUKBSSA-N 497.636 3.887 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868859834 KRXJEQDMQDDFIH-VWLOTQADSA-N 497.636 3.696 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C=Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1 2042448187 CKERBIVZUYQOGD-UHFFFAOYSA-N 497.661 3.760 10 10 JHCE Cc1ccc(Cl)cc1-n1c(C)cc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1C 2293803526 SXAWRVPSMHQEDF-UHFFFAOYSA-N 473.982 3.951 10 10 JHCE O=C(O)c1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1 2296880248 YJMNVFJVDBLWSW-UHFFFAOYSA-N 463.334 3.694 10 10 JHCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1cccc(C)c1 2297347502 BYRDHDDVVKTWCT-UHFFFAOYSA-N 463.490 3.920 10 10 JHCE Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 2313559347 WUJBNPHXBYFGRL-UHFFFAOYSA-N 450.447 3.924 10 10 JHCE COCCN1C(=O)C(=Cc2c(NC3CCCCC3)nc3ccc(C)cn3c2=O)SC1=S 2314414805 NBNAKDLKMHQEJO-UHFFFAOYSA-N 458.609 3.595 10 10 JHCE CN(Cc1c(Br)c(Br)nn1C)c1ccc(CN)c(Br)c1 2364340546 JRCBZNUPTVQMMQ-UHFFFAOYSA-N 467.003 3.803 10 10 JHCE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@@H]4CCCO4)nc4ccccn4c3=O)SC2=S)cc1 35189714 ZQEYVSXAZWPDTE-ACRNLXFHSA-N 492.626 3.995 10 10 JHCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)C1=O 210494412 XPFFCELQKCMBKK-KAHCOLNDSA-N 482.539 3.869 10 10 JHCE CCCOc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(CC(N)=O)C1=O 727176090 GJAVGLJITFJPOS-VZUCSPMQSA-N 494.230 3.687 10 10 JHCE CC(C)OC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1858763649 MMYMRAAIGOFNCB-UHFFFAOYSA-N 485.496 3.780 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c3ccccc3)CC2)cc1 1862287341 MYBAFSWXTVUHBX-VWLOTQADSA-N 488.544 3.732 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865026199 JVFSKIQCLRWTKE-IQMFZBJNSA-N 492.551 3.743 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccs3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873164222 RJIZIMHDKMWMMM-UHFFFAOYSA-N 471.586 3.991 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 2296705156 XHEGALNPEGEXHT-CABCVRRESA-N 458.609 3.594 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 2296885469 WHMFJOXUWBLLAH-UHFFFAOYSA-N 459.505 3.539 10 10 JHCE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)c1C 2297346434 BOOFOEVDMNPFLD-UHFFFAOYSA-N 485.591 3.504 10 10 JHCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 2314764609 HQWACLMNNLZPNW-UHFFFAOYSA-N 494.348 3.912 10 10 JHCE COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 8496711 KOWFRUBMSHYORP-BOPFTXTBSA-N 466.833 3.546 10 10 JHCE CC(/C=C1\SC(=S)N([C@@H]2CC(=O)N(c3ccc(O)cc3)C2=O)C1=O)=C\c1ccccc1 15051090 IGIFIVLHNJXASQ-BEUYGYBQSA-N 450.541 3.872 10 10 JHCE Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1C 38202767 SXAWRVPSMHQEDF-JAIQZWGSSA-N 473.982 3.951 10 10 JHCE Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 101993382 KVOSZFRDQRAWBI-BHIFYINESA-N 455.441 3.829 10 10 JHCE O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1I 108808668 ADQJJMIKXGSISM-UHFFFAOYSA-N 456.711 3.711 10 10 JHCE O=C(O)CNC(=O)CCCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210723966 WLEQELHPLHNXHP-QGOAFFKASA-N 456.545 3.661 10 10 JHCE COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@@H]3/C=C/c3ccccc3)C(=O)c3ccccc3C2=O)cc1 250574534 IXJIORVRZSWRLY-GZVHGPJISA-N 479.488 3.731 10 10 JHCE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)n2)c1 1858073542 CKCOCUNTSSROSV-UHFFFAOYSA-N 454.913 3.765 10 10 JHCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864019924 RMQYRYFTKQJCAC-MTMHJHRPSA-N 492.620 3.809 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028487 WAZIAJGPQAATJY-QHCPKHFHSA-N 474.561 3.998 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3nc[nH]c3[C@H]2C(C)C)n1 1869140337 DLTXQPLVSCYQAG-AREMUKBSSA-N 461.614 3.857 10 10 JHCE CCOCCOC(=O)COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871121382 AVESMBKDBJHGQV-UHFFFAOYSA-N 495.576 3.545 10 10 JHCE CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)C1=O 2294371391 FVPNAQFFNBLAIO-UHFFFAOYSA-N 490.468 3.794 10 10 JHCE CN(C)CCOC(=O)CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297730841 GRADMOUWJPLQKM-UHFFFAOYSA-N 457.415 3.535 10 10 JHCE COc1ccc(OC)c(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c1 2313548348 SXGZBERMLJILGY-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(C)cc12 2313682395 BPFLVRUMNZXCHU-UHFFFAOYSA-N 460.534 3.857 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3cc(=O)n(C)c4cc(Cl)ccc34)CC2)cc1 9692079 BRELCDKLGAKDOJ-UHFFFAOYSA-N 457.983 3.641 10 10 JHCE CCCCN1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 33417196 IWYDYUGIPOKUHF-NBVRZTHBSA-N 482.635 3.703 10 10 JHCE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCC[C@H](C)C2)SC1=S 39989717 BQUHEFLWUNLXOJ-SMEDBKPVSA-N 488.679 3.912 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC[C@@H](c3ccco3)N(C)C)C2=O)cc1 205607564 GQLIMLQHXQBXLZ-OFBHVFLISA-N 473.620 3.689 10 10 JHCE CN(C(=O)CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)c1ccccc1C(=O)O 210496338 XKDQEFVDDVBXNB-MHWRWJLKSA-N 478.498 3.850 10 10 JHCE CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)c3cc(O)c(O)c(O)c3)c2)cc1 216677442 MQSKITMTFFFAPI-UHFFFAOYSA-N 466.446 3.521 10 10 JHCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(N(C)C)cc2)N3)CC1 250375586 KKBJKUMSEJVIND-TZBSWOFLSA-N 452.624 3.515 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(=O)N4CCCC[C@H]4C)cc3)CC2)cc1 743303885 DVCLJVIFMZTEBU-OAQYLSRUSA-N 479.625 3.654 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)cc2)CC1 1296399065 HCGRBGQSIUFRAC-UHFFFAOYSA-N 452.555 3.632 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC(C)(C)O)[C@@H](C)C1 1596166464 TXDMVLOPVAREMP-IBGZPJMESA-N 464.614 3.571 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864014395 UHVIVTNYKJDLAH-HXUWFJFHSA-N 482.968 3.931 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864018696 AJOLSNRVDHHYNP-AOMKIAJQSA-N 476.577 3.823 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(O)c4cccc(I)c4n3)CC2)cc1 1866526592 BXOIBNCWZQNWRE-UHFFFAOYSA-N 489.313 3.516 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccncc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873164158 OWAIHGJATYWPNX-HSZRJFAPSA-N 456.546 3.538 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079858179 MDVCUNDNGCRLMJ-CYBMUJFWSA-N 467.229 3.679 10 10 JHCE COc1cc(C)ccc1OCCn1cccc1C=C1C(=N)N2N=C(N3CCCCC3)SC2=NC1=O 2297352650 JGBMKTZYXPWABP-UHFFFAOYSA-N 492.605 3.947 10 10 JHCE O=C(COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1Cl 2297578761 KVQKQJKBXNOHQY-UHFFFAOYSA-N 491.887 3.730 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(C(=O)O)c1 2313559283 VNJMRDKKPWMJNM-UHFFFAOYSA-N 463.490 3.763 10 10 JHCE CCOc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@H]2C=CC[C@@H]21 14545474 QVKDORBORNEXDE-RLSLOFABSA-N 453.608 3.848 10 10 JHCE Cc1ccc(-c2nc(Cn3cc(C=C4C(=O)N(C)C(=S)N(C)C4=O)c4ccccc43)no2)cc1 27570744 DRDZGOPSXVIXLE-UHFFFAOYSA-N 471.542 3.647 10 10 JHCE O=C1/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 33528798 BBQGITRRYLRPDH-CQUHBBLWSA-N 470.620 3.819 10 10 JHCE O=C1/C(=C\c2ccccc2I)SC(=S)N1C(=O)c1ccncc1 33594819 GDAPKWMTXLIDSM-UKTHLTGXSA-N 452.298 3.728 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(NCCCOC(C)C)nc12 33796976 RZISCKPXQROJQM-SFQUDFHCSA-N 460.625 3.840 10 10 JHCE CCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 33918715 FUNNBOMMGLUSPM-UIMCMNAESA-N 480.615 3.760 10 10 JHCE O=C(NN1C(=O)/C(=C/c2c(O)ccc3ccccc23)SC1=S)c1ccc([N+](=O)[O-])cc1 40841085 JECWVZYDEYUAJR-WQRHYEAKSA-N 451.485 4.000 10 10 JHCE Cc1cc(=O)c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccc(F)cc1 1859616537 OWPAZXNZNVKHDJ-UHFFFAOYSA-N 453.429 3.708 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864009405 GRGCEZYQHPVGKA-RCDICMHDSA-N 478.549 3.593 10 10 JHCE CCC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866606000 FVEDARZPSSTQLM-JOCHJYFZSA-N 498.535 3.699 10 10 JHCE CC[C@@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 1866958134 XZAUGQGJMLSHCM-VGSWGCGISA-N 490.943 3.725 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc([N+](=O)[O-])cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421429 XJEDFFYUIDPTQH-UHFFFAOYSA-N 473.533 3.756 10 10 JHCE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1881305895 KFTUADKJGNHHGO-SSOJOUAXSA-N 460.619 3.801 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C(=N)N21 2297345052 MBZAZXVDGLLTFC-UHFFFAOYSA-N 474.951 3.540 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1Cc1ccccc1 2297345663 QIRIYZGFGMDTJK-UHFFFAOYSA-N 483.619 3.801 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 2313631441 NKAVHWMDUFEVIR-UHFFFAOYSA-N 457.486 3.543 10 10 JHCE Nc1ccc(OCC[S@](=O)c2cc(I)ccc2Br)cc1 2363733676 VLHPSBQVYQOLCT-FQEVSTJZSA-N 466.138 3.823 10 10 JHCE Cc1cccc(OCCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1 32980967 WJEATNRZGIPRFQ-QFDSEOLMSA-N 462.579 3.938 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C2=O)cc1 33562707 INJHASXSJPNZBN-XKZIYDEJSA-N 486.528 3.941 10 10 JHCE COc1ccc(N2CCC(NC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCCC5)CC2)cc1 110362014 UPEKMCXJLCKZLK-UHFFFAOYSA-N 460.578 3.920 10 10 JHCE 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3.696 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3CCN(C)C)CC2)cc1 1870485476 YEOAOHWYWMPULG-UHFFFAOYSA-N 482.669 3.700 10 10 JHCE CCOCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167725 VAJPKHUDMQOOHL-UHFFFAOYSA-N 480.653 3.922 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCCCOc4ccccc4)cc3)C(=N)N21 2297345722 WBSOLIJBWKOPAS-UHFFFAOYSA-N 498.586 3.546 10 10 JHCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=CNc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 2313548094 LMYIJPQRACQJKV-UHFFFAOYSA-N 460.450 3.814 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)cc1C 2313565140 UYVMXERMEYWVAB-UHFFFAOYSA-N 458.312 3.926 10 10 JHCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1)C(=O)O 2314926156 CEUJRJWYMUZVKO-INIZCTEOSA-N 459.501 3.738 10 10 JHCE CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4Br)o3)S2)CC1 1471519 MBYKKTDRPGEPGR-PDGQHHTCSA-N 460.353 3.844 10 10 JHCE COc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(N2CCOCC2)cc1OC 20496452 JVCHHPSIIQUOSA-UHFFFAOYSA-N 484.553 3.937 10 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3.634 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4OC)n(-c4ccccn4)n3)CC2)cc1 1862338232 QHWFRXWNWOMFME-UHFFFAOYSA-N 469.545 3.914 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008579 NGZNUHGQVLJDGD-QFIPXVFZSA-N 462.550 3.901 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864010413 MNXZMHWFSOSOSO-QFIPXVFZSA-N 486.528 3.840 10 10 JHCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864018242 GPCBQVGMQYAIBA-IBGZPJMESA-N 468.941 3.541 10 10 JHCE CCCCOc1cn(Cc2ccco2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870663189 FFVSCHKVMAFMBJ-UHFFFAOYSA-N 451.567 3.999 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2296881475 JLMDPUGJVGWRKQ-UHFFFAOYSA-N 484.555 3.822 10 10 JHCE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 2314541811 QMACMSPNQIDRJM-GFCCVEGCSA-N 471.343 3.783 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C(=N)N21 20206714 KMOUMPLJEMCKSY-GQZSXMDHSA-N 498.586 3.594 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cccc(C)c3C)c3ccco3)CC2)cc1 38619611 PLZCMPBUUBFELC-XMMPIXPASA-N 476.577 3.523 10 10 JHCE CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O 64971111 WIIYABFGPDPTJU-JOCHJYFZSA-N 458.566 3.533 10 10 JHCE CN1CCN(c2ccc(N3C(=O)C(O)=C(c4cccs4)[C@@H]3c3ccc(O)c(O)c3)cc2)CC1 526389314 XAWJHAUPKBXJAY-QHCPKHFHSA-N 463.559 3.968 10 10 JHCE COC(=O)C1=C(C)N(C)C2=S=C(c3ccccc3)C(=O)N2[C@@H]1c1ccc(OC(F)F)cc1 584906375 MDPIUQCAQCFLDJ-GOSISDBHSA-N 458.486 3.605 10 10 JHCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)c4ccccc34)cc2)CC1 1463516290 UGSJITIEFVMBEM-UHFFFAOYSA-N 457.983 3.640 10 10 JHCE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc21 1654282818 URRDYRMKQYYGNL-XLIONFOSSA-N 458.580 3.622 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864010924 BXGJYKGZMGIHQP-OAQYLSRUSA-N 482.968 3.915 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)cc1 1872956578 OFDMIFJPMOBYPA-UHFFFAOYSA-N 456.546 3.688 10 10 JHCE Cc1c(NC(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 2296880219 WOUUDULSOCHBGJ-UHFFFAOYSA-N 484.628 3.776 10 10 JHCE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)ccc1OCC(C)C 2297314958 TZICEEAQUGKFNR-UHFFFAOYSA-N 497.495 3.726 10 10 JHCE CN(C)c1ccc(C=C2SC(=S)N(NC(=O)c3cc(O)nc4ccccc34)C2=O)cc1 2297497692 DLYSMZUHVLQFDH-UHFFFAOYSA-N 450.545 3.553 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)C(=O)O 2314932913 PVZOEHDSPBMBLD-NSHDSACASA-N 492.962 3.747 10 10 JHCE CCN(CC)CCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 2323767734 NZPOGTJKNPFYHS-UHFFFAOYSA-N 463.669 3.867 10 10 JHCE Cc1ccc2c(c1)SC(=Cc1sc3ccccc3[n+]1CCCS(=O)(=O)O)N2CCO 6303706 LLMAZYYMNBQSHU-UHFFFAOYSA-O 463.626 3.678 10 10 JHCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)c1O 14460025 ALYBGVKIDFUDIF-AEFRCRGFSA-N 456.564 3.685 10 10 JHCE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cc(Cl)ccc2O)SC1=S 15047316 CESXNWBXOOENBQ-XBTXGSBDSA-N 462.936 3.972 10 10 JHCE Cc1ccc(CN2C(=O)/C(=C\c3c(C)c(C#N)c(=O)n(C)c3N3CCSCC3)SC2=S)cc1 33392970 HBQXBNPWVDIAIL-UDWIEESQSA-N 496.683 3.828 10 10 JHCE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 39729153 UMYWEFMYXYSJAI-LVZFUZTISA-N 494.642 3.977 10 10 JHCE COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)c2c1 103040750 PETCHFSFWLSHAF-KEBDBYFISA-N 469.563 3.876 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N3CCC(CCc4ccc(O)cc4)CC3)CC2)cc1 743357696 CGFTYTLWTWTFEP-UHFFFAOYSA-N 466.626 3.577 10 10 JHCE CC(=O)N(c1ccc(C)cc1)c1nc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cs1 917642692 PBLGAPAGJYAQJW-CPNJWEJPSA-N 488.660 3.670 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CC)CC)cc3OCC)C2=O)cc1 1083949386 LBKXRPDBYCICKX-QNGOZBTKSA-N 451.523 3.997 10 10 JHCE C=CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN/C(O)=C1/N=CC=CC1=O 1705835840 WKFOFPZPQKWBMK-BZZOAKBMSA-N 471.565 3.501 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)COc4ccc(Cl)cc4Cl)C3)CC2)cc1 1858371872 JJVLFUWGDRXVFL-KRWDZBQOSA-N 492.403 3.578 10 10 JHCE COc1ccccc1-n1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(=O)cc1C 1859616364 CDDQEGQCYLEXNG-UHFFFAOYSA-N 465.465 3.577 10 10 JHCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)NC3CCCC3)c3ccccc23)SC1=S 1860826709 JOBZTYZKTLCVJA-XDHOZWIPSA-N 471.604 3.766 10 10 JHCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1865027735 KCBDNSNAXUYFHX-QHCPKHFHSA-N 492.576 3.944 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3ccccc3)CC2)cc1 1891841792 VMRDWTBBBZLFKT-FTJBHMTQSA-N 455.558 3.955 10 10 JHCE COc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1O 2294259092 IKHYZFOKDJELFN-UHFFFAOYSA-N 467.728 3.648 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)C(=N)N21 2297345764 ZRKBRRSLDUSSBC-UHFFFAOYSA-N 469.592 3.722 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(O[C@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 2297346269 RBFJDIFSSQSBNG-CQSZACIVSA-N 498.586 3.847 10 10 JHCE O=C1C(=Cc2ccccn2)SC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 2297565305 MDEPIOBYOCMBPW-UHFFFAOYSA-N 460.587 3.745 10 10 JHCE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2cc(Br)c(O)c(OCC)c2)SC1=S 2314740685 LVUYJUHPFJKVIU-SECBINFHSA-N 460.371 3.706 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1)C(=O)O 2314926998 XDODWDAISKLYNN-ZWKOTPCHSA-N 471.556 3.826 10 10 JHCE CC[C@H](NC(=O)C(C)=Cc1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330129075 HPLOIFDWHABXCO-QHCPKHFHSA-N 455.986 3.996 10 10 JHCE Cc1ccc(CN(C)C(=O)C(F)(F)CN(C)C(=O)OC(C)(C)C)c(O)c1Br 2380768726 MZISBVASZQHKCO-UHFFFAOYSA-N 451.308 3.924 10 10 JHCE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2532976 BXSXNURQYNLSER-FMQUCBEESA-N 451.573 3.880 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1 20207526 HUIMUQOLIDNQIC-QRRADZHOSA-N 498.586 3.847 10 10 JHCE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152398 SJPHMMLRGHXKRY-OKHBPPCESA-N 458.477 3.731 10 10 JHCE CC(C)(C)[C@H]1OC(=O)N[C@H]1c1cc(I)cc(I)c1O 575257012 TVMMMWWLMZRHOL-ONGXEEELSA-N 487.075 3.797 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)cc(Cl)c1O 1084116654 CXMWYCSBFZNQKG-UXBLZVDNSA-N 455.692 3.779 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(C)c(-c4ccccc4)c(O)n3)CC2)cc1 1858515573 ULNFYQVZFJRIRT-UHFFFAOYSA-N 450.564 3.607 10 10 JHCE CCc1sc(NC(=O)[C@@H]2CCC(=O)N2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866196598 DAZHKPZYYXGCCE-LBPRGKRZSA-N 451.342 3.744 10 10 JHCE COCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870466437 FXEHSUAAFYJBPK-UHFFFAOYSA-N 477.605 3.795 10 10 JHCE COC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870871621 SNHJWZDMUFSWAO-QHCPKHFHSA-N 463.534 3.935 10 10 JHCE COC(=O)c1ccc(CN2C(=O)C(NC3CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167277 ZLECIYUFFHRJSV-UHFFFAOYSA-N 469.541 3.913 10 10 JHCE O=C(CSCc1nc(O)c2ccccc2n1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874178966 DRFHEVFSSPVHLT-UHFFFAOYSA-N 455.495 3.983 10 10 JHCE Cc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(C(N)=O)c2I)c(O)c1 2079005951 SNDXJIJQSVVOHK-OAHLLOKOSA-N 451.308 3.652 10 10 JHCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(F)F)c(C(=O)OC)c1I 2079874080 YRYRQXFVIAWELM-JTQLQIEISA-N 466.222 3.926 10 10 JHCE COc1ccc(O)c([C@@H](C)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1 2271978190 NQKVNDWAORSMIP-MRXNPFEDSA-N 465.591 3.908 10 10 JHCE CCCCC1=NN2C(=N)C(=Cc3cc(Cl)c(OS(C)(=O)=O)c(OCC)c3)C(=O)N=C2S1 2297344755 DIKMZROROZIZBB-UHFFFAOYSA-N 484.987 3.886 10 10 JHCE CCN(CC)c1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 2297468656 LMZTYOBPWLQODW-UHFFFAOYSA-N 452.584 3.555 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccccc3Cl)CC2)cc1 2330459344 HOJKHCSKEZHJMP-QHCPKHFHSA-N 453.970 3.702 10 10 JHCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@H]2C=CC[C@@H]21 14545475 QVKDORBORNEXDE-ZYLNGJIFSA-N 453.608 3.848 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cccc(Cl)c3)c3ccco3)CC2)cc1 38619219 LPLNNNCFSCVILN-QFIPXVFZSA-N 475.998 3.783 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1 40940714 GGQWRKOSIVHRHH-XSFVSMFZSA-N 483.615 3.788 10 10 JHCE CN(C)CCCNC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 586626464 HQNQNENDDHAMHC-UHFFFAOYSA-N 470.529 3.788 10 10 JHCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(C)C(=O)[C@H]1C 1705730243 FMMWDJJFKMXGNJ-OAQYLSRUSA-N 462.598 3.612 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCN(C)C(C)C)C1 1705960675 JRGOZKGNIKFPEF-DEOSSOPVSA-N 491.684 3.997 10 10 JHCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 1859573541 KZZAIIASWNSDRA-UHFFFAOYSA-N 498.586 3.631 10 10 JHCE Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(O)cc1=O 1859616496 MEUBZEQSQCOFPJ-UHFFFAOYSA-N 485.883 3.928 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccccc3C(F)(F)F)CC2)cc1 1861925535 SGLXSKMOQMIMRP-NRFANRHFSA-N 495.567 3.914 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864017715 SJJFWYSVPUURLJ-VBKZILBWSA-N 478.549 3.599 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864018450 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COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 15047197 LIGSXXCKDHOIGQ-SJWFJVLYSA-N 472.544 3.630 10 10 JHCE CCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N(C)Cc2ccccc2)SC1=S 33454484 QISWKVVXVVDDTH-XDHOZWIPSA-N 452.605 3.813 10 10 JHCE COc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619982 FDDZOUSMLXIIKZ-QHCPKHFHSA-N 450.539 3.982 10 10 JHCE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)C2=O)cc1OC 101974264 FXFYNMPYPVONHM-PACYTGELSA-N 488.974 3.891 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1 205622018 QGRUSHLHTRXJTH-RELWKKBWSA-N 498.649 3.589 10 10 JHCE CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1 1084436387 ROBHWVKQXVQHLC-WJDWOHSUSA-N 490.379 3.872 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCSc2nccs2)CC1 1540932206 LNXHMPOGELZGJC-UHFFFAOYSA-N 491.712 3.720 10 10 JHCE C=CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCO[C@H](C(=O)NC)C1 1705801905 VQXSIKUWHQFECF-QHCPKHFHSA-N 462.598 3.660 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCOc3ccccc3)c3ccccc3)CC2)cc1 1862267022 JLEJJZNDJSDOBG-HHHXNRCGSA-N 473.573 3.670 10 10 JHCE C/C(=C\c1ccccc1Cl)C(=O)N[C@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866818243 YZVFCFVAXXRRNP-UVEFMEQMSA-N 488.927 3.635 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(=O)OCC(C)C)cn3CCC(C)C)CC2)cc1 1870425490 YJBKKAHCIUHSRT-UHFFFAOYSA-N 499.652 3.803 10 10 JHCE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)cc2)c1 2297352767 UVZYARNGNDBQJZ-UHFFFAOYSA-N 489.557 3.977 10 10 JHCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1Cl 2297352778 VWDXDPAKOCGIAQ-UHFFFAOYSA-N 482.997 3.965 10 10 JHCE C[C@@H](NC(=O)CCCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 2314831914 VPKLWMXYSUJITP-MRXNPFEDSA-N 484.599 3.836 10 10 JHCE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)[C@@H](C)O5)cs3)ccc21 11858006 KPFWUNFDJYNNIW-CYBMUJFWSA-N 498.586 3.629 10 10 JHCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=N)N21 96460815 XQOGBVSXIGXSAL-ICZFKYGZSA-N 462.940 4.000 10 10 JHCE C[C@H](Oc1cccnc1NC(=O)Oc1ccc(N)cc1)C(=O)c1ccc2c(c1)N(C)C(=O)[C@H](C)O2 1858694923 OIDDOMZSPGONHL-GJZGRUSLSA-N 476.489 3.669 10 10 JHCE CCOc1ccc(/C=C/C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 1862160370 BVFASLLLZKPUJM-IKJSTBCHSA-N 495.620 3.749 10 10 JHCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865025935 FSQUFBJGJWVYHR-OAQYLSRUSA-N 480.952 3.621 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2cc(=O)c3cc(OC(F)(F)F)ccc3[nH]2)c2nccn2C)cc1 1866547772 HMYGIQXLGAAEII-OAQYLSRUSA-N 485.466 3.746 10 10 JHCE COc1ccc(O)c(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1 2084895731 BMFKIIQTYZEJCZ-UHFFFAOYSA-N 453.580 3.689 10 10 JHCE CCc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 2296881439 HRDXQLYCMBCNCX-UHFFFAOYSA-N 456.545 3.883 10 10 JHCE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(C=C3SC(=S)N(C(C)C)C3=O)cc2c1 2314650539 MZCJVPAVBNPJDD-UHFFFAOYSA-N 454.621 3.855 10 10 JHCE CC[C@@H](NC(=O)C=Cc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328571466 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CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 250538129 YELSCWIASXMNBH-VXNXHJTFSA-N 495.487 3.673 10 10 JHCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 1857996711 AMVABEIEPBTRHJ-UHFFFAOYSA-N 473.482 3.881 10 10 JHCE CCSc1ccc(Cl)cc1CC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861909917 WIOYXROGVYRTFK-QGZVFWFLSA-N 476.042 3.857 10 10 JHCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864014818 CZXOCIHGUJQGOC-INIZCTEOSA-N 478.471 3.551 10 10 JHCE COc1cc([C@]2(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]2C(=O)O)cc(O)c1O 1952887827 MAGRJPSKJLJFHN-FQRUVTKNSA-N 461.470 3.945 10 10 JHCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc2c(cc1Br)OCO2 2297322504 QTWBUHVGRQQWHU-UHFFFAOYSA-N 465.712 3.663 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OC 2313548705 CKFYVMKJAGSPQW-UHFFFAOYSA-N 473.323 3.561 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(Br)c1 2313559625 IAAZSFIIBHBWSY-UHFFFAOYSA-N 450.086 3.878 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccccc1C(F)(F)F 15035693 MATAZZXGRLWTFD-CHHVJCJISA-N 454.451 3.957 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4C)cc3)C(=N)N21 20206694 LFVOWXFKNXFMRE-BIWIXZEJSA-N 468.560 3.585 10 10 JHCE O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)cc1 20757155 PNBCQCZXVBXRPU-CLWLKPMESA-N 455.536 3.879 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)cc4)c(C(=O)O)c3)CC2)cc1 33006951 RNPWOIOSKPNQBN-UHFFFAOYSA-N 481.574 3.829 10 10 JHCE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 33812733 AWHNAVDFKDELAK-IEOAWGNMSA-N 487.695 3.580 10 10 JHCE CC(=O)N1CCC(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)(c2ccccc2)CC1 107982121 JVXZKSSAKMYRFP-UHFFFAOYSA-N 489.538 3.739 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1/C=C\c1ccccc1 252665969 AAXNSNCLZXZSSA-YFFWBJKZSA-N 473.598 3.529 10 10 JHCE CCc1ccc(OCCCC(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862231574 ZFZJUQDFZNUDFU-AREMUKBSSA-N 479.621 3.756 10 10 JHCE CCCC[C@@H](NC(=O)/C=C/c1ccc(C(=O)OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862261651 QFGLHZSLSHITHZ-ZLWHBRAQSA-N 493.604 3.519 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864011366 SUFABTPNCCXSIY-HSZRJFAPSA-N 470.529 3.966 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865028773 XVZAOEKIPFSYGW-VBURHUQHSA-N 474.561 3.791 10 10 JHCE COCCN(CCOC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(C)cc2)n1 1867963911 APNRDXQYKBIFDB-UHFFFAOYSA-N 491.636 3.886 10 10 JHCE O=C(CCC(=O)N1CCC[C@@H]1c1nnc2ccccn12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874018645 MBBNBWIAYXSPLE-OAQYLSRUSA-N 493.523 3.587 10 10 JHCE CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C1CC(OCc2ccccc2)C1 2200973364 XMNHCMYTMZPXKL-CBNMVNINSA-N 470.566 3.740 10 10 JHCE COc1cc(C=C2C(=N)N3N=C(SCCOc4ccccc4)SC3=NC2=O)ccc1O 2293752397 JMZXBSXQDDRMMT-UHFFFAOYSA-N 454.533 3.790 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccccc2F)C1=O)C(=O)O 2314934099 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LRFANKPKPIFRFC-UHFFFAOYSA-N 477.609 3.627 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)COc3c(C)ccc(C)c3C)CC2)cc1 1862199511 IASSPPWWEIXAGE-XMMPIXPASA-N 499.677 3.586 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1864014021 LPAAZYHJWXSWGP-HXUWFJFHSA-N 456.587 3.904 10 10 JHCE COC1(CCNC(=O)OC(C)(C)C)CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)C1 2163084203 ZIRXYLDLHZOXNZ-UHFFFAOYSA-N 476.618 3.682 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O)C(C)=O 2314926502 KSJZEEDQVCHULY-QGZVFWFLSA-N 456.545 3.685 10 10 JHCE Cc1ccccc1SCC(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 8760848 VMTGARWHCHZVSW-UHFFFAOYSA-N 472.588 3.568 10 10 JHCE CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)cc1 14480668 ZJZKINFWWXQZQX-WRALFONMSA-N 453.608 3.848 10 10 JHCE CCOc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 22579050 UHNCJMHDKQCZEL-RJGXRXQPSA-N 467.477 3.780 10 10 JHCE COc1ccc(N2CCN(C(=O)COc3ccc(Br)cc3Br)CC2)cc1 23471467 XWHSKVXQSKGZEM-UHFFFAOYSA-N 484.188 3.948 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1 59860927 GFICEPRDULFWAR-JWGURIENSA-N 456.498 3.979 10 10 JHCE Cc1ccc(COc2ccc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1 96460068 BLFIPLRKHLDFDT-MRDWGVERSA-N 488.978 3.849 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)c(OC)c3)C(=N)N21 96460411 KMOUMPLJEMCKSY-PUYZJMEQSA-N 498.586 3.594 10 10 JHCE COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(OC)c1 102948150 ICFSGODBETXKSV-SGNDLWITSA-N 497.503 3.707 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 214753008 DWXMFOHZQGOWHT-GZTJUZNOSA-N 471.516 3.611 10 10 JHCE O=C(O)CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(F)cc1 586203106 BPRCTTLCDDDRLH-UHFFFAOYSA-N 467.474 3.661 10 10 JHCE COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c1OC 1083854017 PCSPSJNCRBGKTL-UVTDQMKNSA-N 459.296 3.750 10 10 JHCE COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c1 1084149175 SXGZBERMLJILGY-XNTDXEJSSA-N 459.296 3.750 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865028929 BNEHBVKSTAAYIM-QFIPXVFZSA-N 476.577 3.858 10 10 JHCE COC(=O)c1c(NC(=O)[C@@H](N)CCCCN)sc(C)c1-c1ccc(Br)cc1 1865999842 VAIPPJOBDGWFJC-AWEZNQCLSA-N 454.390 3.667 10 10 JHCE COC(=O)c1c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C)c1-c1ccccc1 1866025047 PWSSPJJTLUVPFN-UHFFFAOYSA-N 479.470 3.653 10 10 JHCE CC[C@@H](C)NC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870966163 ZYIAXIVTHALSEA-UXHICEINSA-N 478.593 3.878 10 10 JHCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCc2ccco2)[nH]1 1871559154 MPOGRNKENBYBNB-UHFFFAOYSA-N 485.592 3.562 10 10 JHCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)c1 1873422313 QODUIMZIAIIRTL-UHFFFAOYSA-N 486.572 3.821 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(O)cc3C)cc1C2=O 1873876858 SFEONGZXDDSRMG-UHFFFAOYSA-N 473.437 3.579 10 10 JHCE CC[C@H](C)N1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296546119 OHTUEZHHJSLYBA-YJBOKZPZSA-N 480.615 3.840 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccccc1O)Nc1ccccc1-3 21658946 HVULIEWXVMYMLB-QFIPXVFZSA-N 450.498 3.915 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)C1CCCC1 35962238 RQGWVOXQDQPXHK-QHCPKHFHSA-N 454.546 3.507 10 10 JHCE O=C(NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccc(Br)cc1 40940473 SOGNRZAKIYWACO-ZROIWOOFSA-N 464.322 3.904 10 10 JHCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)c1 526469101 MDQQDRFAFVIRRQ-JOCHJYFZSA-N 477.469 3.959 10 10 JHCE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2c(Cl)nc3ccccn23)c(O)nc1=O 1086846432 ZORBTYDGMWETPQ-OUKQBFOZSA-N 492.967 3.879 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)COc3ccc(Cl)c4ccccc34)cc2)CC1 1638586931 FFPJLVKNSMMPCZ-UHFFFAOYSA-N 451.954 3.857 10 10 JHCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)n(C)c(=O)n3C)c(C)s1 1859573973 YVHIAABVNWZEKI-UHFFFAOYSA-N 478.983 3.772 10 10 JHCE COCc1nnc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860345082 RZNCOCSJPAHFSO-UHFFFAOYSA-N 486.557 3.601 10 10 JHCE CC[C@H](NC(=O)CCCOc1c(C)cccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862208365 RNKVDOBMMMDVCA-DEOSSOPVSA-N 467.610 3.715 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(C)c3)CC2)cc1 1862284729 JQXCHOKBJBPTCC-SANMLTNESA-N 457.574 3.694 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864012297 WZIUPEOFZUYLKI-WAIKUNEKSA-N 476.577 3.877 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865033665 FTIBYYBXLILZBU-MRXNPFEDSA-N 480.487 3.819 10 10 JHCE CCCCc1ccc(Nc2nc(=NC[C@@H](C)O)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871501644 HHMUBUQRCIUUPJ-HXUWFJFHSA-N 491.640 3.508 10 10 JHCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)(F)F)c(C(N)=O)c2I)cc1C 2080030085 INIGDAKAFGPMJI-CYBMUJFWSA-N 479.240 3.927 10 10 JHCE O=C(COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccc(F)cc1 2294095287 NUUWBSZYBQQCMI-UHFFFAOYSA-N 477.423 3.649 10 10 JHCE CN(c1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@H]2CCCO2)C1=O)C1CCCCC1 2296701677 ZVGISRMYTDEXOF-QGZVFWFLSA-N 484.647 3.844 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)cc(Br)c1O 2313557919 OXLBSFVFWRQFHE-UHFFFAOYSA-N 484.075 3.723 10 10 JHCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 20738988 UOWJVFKDOJGQDT-NHCUHLMSSA-N 464.522 3.610 10 10 JHCE COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3/C=C3/SC(=S)N=C3O)CC2)cc1 33574561 FABLEEMXRFBWCG-CPNJWEJPSA-N 493.614 3.667 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Br)cc3Cl)cc2)CC1 1638587245 MADHKJJUGMXNOT-UHFFFAOYSA-N 450.764 3.701 10 10 JHCE C=CCO[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCNC(=O)C(C)C)C1 1705917956 ZUMHXNWMRBZIEZ-QHCPKHFHSA-N 476.625 3.906 10 10 JHCE CCc1nnc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860345273 ZAYQUUQSHSGDJO-UHFFFAOYSA-N 456.531 3.627 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864009477 IEDVWKMTTXCJJZ-OAQYLSRUSA-N 454.571 3.936 10 10 JHCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032389 BKGUQVOJMYAZLV-QFIPXVFZSA-N 490.560 3.562 10 10 JHCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865034584 ZXJBRFTVIZXJTD-NRFANRHFSA-N 492.576 3.850 10 10 JHCE CCOC(=O)CCSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872825190 QLHQMPOWUFVHKJ-UHFFFAOYSA-N 468.579 3.579 10 10 JHCE CCN(CC)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1873551686 ZFUJFXZPRSEOIH-UHFFFAOYSA-N 464.614 3.905 10 10 JHCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2297331688 KIOJTTPERIDXDG-UHFFFAOYSA-N 486.893 3.962 10 10 JHCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314842334 PSTKJNFUJCIJJL-KRWDZBQOSA-N 457.529 3.785 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3Cc4ccccc4CN3C(=O)c3ccccc3)CC2)cc1 3392482 GHAVFMKTIBQKIA-SANMLTNESA-N 455.558 3.611 10 10 JHCE Cc1c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 33812177 YGNDJELTMZJLEX-HXODVAPPSA-N 458.653 3.905 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc(OC)c1OC 40888608 MAASVHOTJXBOJH-BOPFTXTBSA-N 451.566 3.790 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)COc3ccc(Cl)cc3)C2=O)c1 62049987 SHYZRNMKPGBCPZ-LDADJPATSA-N 462.980 3.745 10 10 JHCE CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 105487207 OQHDJKOAAXJADC-KMDXXIMOSA-N 494.503 3.649 10 10 JHCE CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1c(Br)cc(Br)cc1Br 253966859 WXEYTYTXGFLWAZ-MRVPVSSYSA-N 497.998 3.888 10 10 JHCE CCN1CCC[C@H]1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1860344798 GVDBHRKNNVPQLC-MMTVBGGISA-N 485.632 3.779 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864014089 NBTGIBDYAYLJRE-QFIPXVFZSA-N 476.577 3.976 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)C[C@@H](NC(=O)C(F)(F)F)c2ccccc2)c2nccn2C)cc1 1866061582 WLUAJHOKXIZZAR-TZIWHRDSSA-N 473.499 3.502 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(O)c4cc(Br)cc(F)c4n3)CC2)cc1 1866523561 FAHOQTIYHDVOEP-UHFFFAOYSA-N 460.303 3.813 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(c5ncncn5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869188161 VBKMWERCWQKAFK-UHFFFAOYSA-N 488.640 3.678 10 10 JHCE CCOC(=O)COc1cn(CCOC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871144528 RNSYZBWBBKHJJU-UHFFFAOYSA-N 451.523 3.792 10 10 JHCE COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)cc1 1874179814 QTDHMFFSYFMJIU-HYBUGGRVSA-N 454.482 3.629 10 10 JHCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1890571132 JUADTIJAJKTQTJ-VVYCWGTDSA-N 462.619 3.534 10 10 JHCE O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@H]1c1cc(I)ccc1O 1952826306 WRSWEQSDLCJPCA-RHSMWYFYSA-N 467.259 3.781 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 2314829236 ZVVDLACVGZYSAA-UHFFFAOYSA-N 458.561 3.948 10 10 JHCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1O 40940052 BQSIGSNEVNEBPW-ZSOIEALJSA-N 465.896 3.509 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)ccc1OCc1ccccc1 799202713 BGMSFVGOAFQJMN-CJLVFECKSA-N 470.616 3.808 10 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3.760 10 10 JHCE COc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@@H](C)C(=O)O 2314931073 BTGGRSSBTBFDKO-NSHDSACASA-N 459.501 3.682 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)ccc1OCCC(=O)O 2314933877 DMONENGLPWGMTI-UHFFFAOYSA-N 490.534 3.624 10 10 JHCE CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 33364227 QNSVPCFXNTYNPF-NBVRZTHBSA-N 472.636 3.985 10 10 JHCE CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 59415943 OQHDJKOAAXJADC-SGNDLWITSA-N 494.503 3.649 10 10 JHCE Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C1/C(=O)N(c2ccccc2)C(=O)N=C1O 59858779 PJYRBUJNRONKGV-GZTJUZNOSA-N 476.405 3.812 10 10 JHCE O=C(O)CN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S 95546735 QRGTXHJJNNLYPZ-NVMNQCDNSA-N 469.519 3.705 10 10 JHCE COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)cc1 102464210 VYNATAHUIABXQJ-JNTYBJLZSA-N 457.471 3.796 10 10 JHCE CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526139739 RJUSBOSIBVDFOP-QFIPXVFZSA-N 497.598 3.696 10 10 JHCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1857996740 CTMDPZDOSRLLCP-UHFFFAOYSA-N 472.454 3.957 10 10 JHCE O=C(O)[C@H](Cc1cnc[nH]1)N1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S 1858587173 PBWGGDLVCYGSCM-LKQKOTCASA-N 465.556 3.886 10 10 JHCE CCC[C@@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(OCC)cc2)c1C(=O)OCC)C(=O)O 1860762533 JHQFOZNKOKNVPT-MRXNPFEDSA-N 476.551 3.607 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864015973 XZZUTQDCVVLCDK-INIZCTEOSA-N 474.439 3.523 10 10 JHCE COc1cc(OC)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c2c1 1866556984 ZVNCZXKKRHOCLR-QHCPKHFHSA-N 478.593 3.568 10 10 JHCE CC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869027981 GDZCIPWWDOXNMZ-QFIPXVFZSA-N 488.426 3.552 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)c(C)c4)n(-c4ccccc4)[nH]3)CC2)cc1 1869970039 CXGOEZKQQSWACW-UHFFFAOYSA-N 482.588 3.894 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3Cc3ccncc3)CC2)cc1 1870435959 CWALHSKQULAWOU-UHFFFAOYSA-N 462.594 3.657 10 10 JHCE COCCCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870870969 SFZMKNJTAHOPKO-UHFFFAOYSA-N 451.523 3.792 10 10 JHCE CCc1ccc(Nc2nc(=NCc3cccnc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584473 XRKWUIVTQOKAHZ-UHFFFAOYSA-N 496.619 3.942 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)N[C@H]3CCCC[C@@H]3C)cc1C2=O 1873866276 FXMZEBFIVLMMBJ-DJJJIMSYSA-N 463.486 3.621 10 10 JHCE CCN(CC)CCCCNC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873910187 CUWAWTNRRFNTPX-UHFFFAOYSA-N 471.605 3.813 10 10 JHCE CCOC(=O)c1c(CC)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2079978435 AIPMDCZTABWJGR-KRWDZBQOSA-N 470.307 3.940 10 10 JHCE CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228047 AZCCSVATTLSHSL-GOSISDBHSA-N 454.939 3.951 10 10 JHCE COc1cc(OC)c(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br 2297305246 NOFKWEGWDKHWOR-UHFFFAOYSA-N 481.755 3.951 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccccc3Cl)c3ccco3)CC2)cc1 38619223 JLUKKMVMDLXZBV-NRFANRHFSA-N 475.998 3.783 10 10 JHCE Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)c2C)c1 46882355 DBBNXXSWYPMOAV-VWLOTQADSA-N 460.490 3.961 10 10 JHCE COCCCNC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586691186 DKKRKQMPSXSOPE-UHFFFAOYSA-N 457.486 3.872 10 10 JHCE O=C(Nc1cccc(C(=O)N2CCOCC2)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 586718299 KJWBLVOOMGGRAD-UHFFFAOYSA-N 455.470 3.578 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027562 JNXGKIXRKYOSIB-IQMFZBJNSA-N 490.560 3.554 10 10 JHCE COCCN(CCOC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(Cc2ccccc2)n1 1867945500 VAXFOLLZRACLGT-UHFFFAOYSA-N 491.636 3.502 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4ccccc4Cl)oc3C)CC2)cc1 1868646361 MXNGOWYRDZXRFB-KRWDZBQOSA-N 496.995 3.708 10 10 JHCE CCCCCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870677874 XVILQZHKOPMARQ-UHFFFAOYSA-N 479.625 3.714 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cccc(F)c3)cc1C2=O 1873859891 HWWYJSYXWMVOKE-UHFFFAOYSA-N 461.401 3.704 10 10 JHCE NC(=O)[C@@H]1CN(C(=O)C=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)c2ccccc2O1 2040464571 SDWAHNAVVIHUHU-VWLOTQADSA-N 464.525 3.891 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(c2ccc(CN)c(F)c2)CC1 2220632662 CEZHAJCKOBJDFX-UHFFFAOYSA-N 452.571 3.579 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(SC)SC3=NC2=O)ccc1OC(=O)c1ccco1 2297499567 MQYFLNGWORUKOX-UHFFFAOYSA-N 456.505 3.837 10 10 JHCE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl 2313543571 NRVZONPCYMCNHZ-UHFFFAOYSA-N 469.664 3.777 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1 20207544 SMRGIONTVMFTRS-KBVRANJKSA-N 466.953 3.705 10 10 JHCE COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1Cl 20356686 MOTNJZFELALEFG-BVDVPRQSSA-N 498.996 3.665 10 10 JHCE CC(C)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33362140 CPGBFIRFDRWHLD-VXLYETTFSA-N 494.598 3.893 10 10 JHCE COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)NCc1ccco1 33723315 UTAPPQVESCGUGD-JAIQZWGSSA-N 484.555 3.978 10 10 JHCE Cc1cc(C(=O)COC(=O)COc2ccccc2C(N)=O)c(C)n1-c1cccc(Br)c1 729928301 JMYHVXLFYXSHPV-UHFFFAOYSA-N 485.334 3.760 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=S)NS(=O)(=O)c3ccc(Cl)cc3)cccc21 1858610889 TZDVAMMPTVDYQJ-UHFFFAOYSA-N 456.932 3.791 10 10 JHCE CC[C@](C)(NC(=O)c1cccc(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862040111 ZJBOPPAACJGMAX-QHCPKHFHSA-N 474.399 3.705 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864021509 PCANIZASYHSSRW-QFIPXVFZSA-N 492.576 3.532 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)C(C)C)[C@H]2c1ccc(O)c(O)c1 1865025711 CFJWYAUOKPHBNT-QFIPXVFZSA-N 462.550 3.754 10 10 JHCE CCc1nc(N2CCC(NC(=O)OC(C)(C)C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867953823 JDQMHDAWYPRIHK-UHFFFAOYSA-N 496.656 3.868 10 10 JHCE CCC1=NN(Cc2ccccc2F)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106641 PBKXZZNRUKXXDV-UHFFFAOYSA-N 467.541 3.737 10 10 JHCE CN(C)c1ccc(CNC(=O)CCCn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 8593456 MOUGXTRNKIPBCH-UHFFFAOYSA-N 468.623 3.588 10 10 JHCE Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3cc(Br)ccc3O)cc2)n1 9546573 NNZNDWIDFSYHNG-UHFFFAOYSA-N 463.357 3.974 10 10 JHCE COc1cc(Br)c(/C=C2\C(=O)NN(c3cccc(Br)c3)C2=O)cc1OC 33392923 MRSCPHOAZHLUGP-AWNIVKPZSA-N 482.128 3.690 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54421795 MGIJKCBFDQCAEX-AVRDEDQJSA-N 462.587 3.655 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(NC(C)=O)ccc3O)c2C)cc1 920625887 FHKQZTUSIWMZNM-UHFFFAOYSA-N 464.474 3.584 10 10 JHCE CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858592235 JQQNCJADGFPWKZ-CLEQQJOVSA-N 464.609 3.778 10 10 JHCE CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c12 1860270114 RGRZNIDJDMPBDQ-GOSISDBHSA-N 450.535 3.789 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864013443 BJTXAPWTLPYTDC-OAQYLSRUSA-N 462.550 3.586 10 10 JHCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864017448 MQRRPWCUSNPUNQ-NRFANRHFSA-N 490.560 3.743 10 10 JHCE CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCN1C(=O)CSC1=S 1865768043 LMCYMHWEIADZPY-UHFFFAOYSA-N 452.554 3.920 10 10 JHCE CC[C@](C)(NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866707336 LLLXKHWJHYKQRO-GIGWZHCTSA-N 483.568 3.988 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H](c3ccc(Cl)cc3)C(C)C)CC2)cc1 1868699141 GGLBYIGOJINXOI-QHCPKHFHSA-N 458.002 3.943 10 10 JHCE COc1ccc([C@H](C)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079848901 OVGMHPHHXJTBRY-LURJTMIESA-N 456.158 3.528 10 10 JHCE COc1ccc([C@H](C2CCC2)n2nc(C3CC3)c(CO)c2I)c(O)c1 2080023778 DTRDDNYMXMFVDP-SFHVURJKSA-N 454.308 3.961 10 10 JHCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1CCOc1ccc(Br)cc1 2293296222 YIRYGXFVXCRCRU-UHFFFAOYSA-N 484.306 3.585 10 10 JHCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1C=C1SC(=S)N([C@H](CO)C(=O)O)C1=O 2323831737 ZHXFLBGGKYVKDV-LLVKDONJSA-N 493.916 3.777 10 10 JHCE CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1nc(C(C)C)no1 21150998 OVFHCXUMSMYBKI-UHFFFAOYSA-N 486.594 3.778 10 10 JHCE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2cccc(O)c2O)cc1 21659108 WUOWWXMRTZXAQW-JOCHJYFZSA-N 496.523 3.630 10 10 JHCE Cc1ccc(N2C(=O)/C(=C3/C(=O)N(CN4CCOCC4)c4ccccc43)SC2=S)c(C)c1 33467915 CFYXTFJROFYGGO-MRCUWXFGSA-N 465.600 3.716 10 10 JHCE O=C(O)/C=C\C(=O)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O 39899495 CQNRURNVTYPRIC-WAYWQWQTSA-N 479.080 3.566 10 10 JHCE COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 96460981 IPVTVLNZKFSCEJ-PUYZJMEQSA-N 499.618 3.811 10 10 JHCE Cc1cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 109252405 DZHZERCXNGDLHH-UHFFFAOYSA-N 452.942 3.876 10 10 JHCE COc1ccc(N2CCC(O)(CN3[C@H](c4ccccc4)C[C@]4(C)[C@H](O)[C@H](O)CCC[C@H]34)CC2)cc1 1615191783 PIGZADFSUOIIFZ-BIJRFUASSA-N 480.649 3.754 10 10 JHCE CCOc1ccc(/C=C/C(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862158784 MKDRYRKSRBPCRH-GPLAWQGUSA-N 465.594 3.741 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028554 WTCUDWAMFGQBBH-JOCHJYFZSA-N 460.534 3.607 10 10 JHCE CCOC(=O)c1c(NC(=O)CC[C@H](N)C(=O)O)sc(C)c1-c1ccc(Br)cc1 1866020684 RTWUILSQTBTWMZ-ZDUSSCGKSA-N 469.357 3.793 10 10 JHCE Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1866032889 AQDLXJNASDBBNT-QFIPXVFZSA-N 455.515 3.834 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H](c3ccccc3)c3cccc(F)c3)CC2)cc1 1868719549 NKJVIWRLAPDWIL-AREMUKBSSA-N 475.564 3.821 10 10 JHCE CCc1ccc(COc2cn(C[C@H](C)O)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870465160 NWHBMEFXYJXDCI-QFIPXVFZSA-N 491.632 3.701 10 10 JHCE CCc1nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c(I)c1C(=O)O 2079977443 MAQZMOJIFPCMHS-HNNXBMFYSA-N 456.280 3.852 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1OC 2296004730 LYARCKUBPSHRNK-UHFFFAOYSA-N 459.505 3.548 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(C[S@@](=O)c4ccc(C)cc4)o3)CC2)cc1 9115704 YHLUALYMVRWJLL-DHUJRADRSA-N 495.645 3.847 10 10 JHCE CC(/C=C1\SC(=S)N([C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O)=C\c1ccccc1 15047625 ZHCNOHDHNCHVFK-NHZCGGKSSA-N 487.628 3.509 10 10 JHCE COc1ccc(N2CCN(C(=O)C3(c4ccc(Br)cc4)CCOCC3)CC2)cc1 110120540 MJUKVYYKFLPAEX-UHFFFAOYSA-N 459.384 3.855 10 10 JHCE O=C(/C=C\[C@@H]1CC=CCC1)Oc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 228950086 IMPCYPFETZEDOE-JGENDDHQSA-N 489.640 3.893 10 10 JHCE CCN1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)CC1 586669861 FNAQQWNFJSDJGE-UHFFFAOYSA-N 482.540 3.884 10 10 JHCE CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1 1084343245 WLJZSWBYIJXOBN-WJDWOHSUSA-N 490.379 3.872 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)cc2C)C1 1760586787 POPDARZDHTVLGE-NQHRYMMQSA-N 496.700 3.924 10 10 JHCE Cc1ccccc1-n1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=O)cc1C 1866282428 BFLMBFKVEPGNSD-VWLOTQADSA-N 473.621 3.872 10 10 JHCE Cc1ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867885776 MCDANSMBJKGUBM-BWKNWUBXSA-N 450.627 3.831 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCOC[C@@H]4C)nc(Cc4ccccc4)n3)CC2)cc1 1869081545 MVKDNDFNXHQXSP-NRFANRHFSA-N 459.594 3.628 10 10 JHCE CC(C)C[C@H](Nc1ncnc2[nH]cnc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179042 JPPHNHSAHSWZHF-SFHVURJKSA-N 454.490 3.594 10 10 JHCE COCCCN1C(=O)C(=Cc2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(C(=O)OC)=C1C 2294037461 HZEJGHPUGZIDPF-UHFFFAOYSA-N 466.534 3.590 10 10 JHCE COc1ccc(-c2ccc(N3CCC[C@@H](C(=O)N4CCN(c5ccc(OC)cc5)CC4)C3)nn2)cc1 22481643 HIXWLHMGKMAQHU-JOCHJYFZSA-N 487.604 3.726 10 10 JHCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1cccc2ccccc12 96459731 KTPOAIBGUGEMOT-ODJOWLHGSA-N 477.571 3.869 10 10 JHCE COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(C/C=C\c1ccc(N(C)C)cc1)CC2 97340675 VSPFALREKJCZKL-YFHOEESVSA-N 490.648 3.754 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864018874 SXKRJAUGAAJNKN-REDKUUPNSA-N 489.576 3.630 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3nc(CC(C)C)n4ccccc34)C(C)C)CC2)cc1 1868777507 NBYARDMHPWSBJG-VWLOTQADSA-N 491.636 3.645 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871519878 MHCHZKQIVVTSNS-UHFFFAOYSA-N 486.555 3.519 10 10 JHCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1892092315 WWNOWTDWFJEYLE-REWPJTCUSA-N 453.608 3.780 10 10 JHCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2053498252 WDJGCBSKIGCWRB-INIZCTEOSA-N 487.653 3.989 10 10 JHCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccc([N+](=O)[O-])cc1Cl 2053574011 CXKOUTJVVACVEX-UHFFFAOYSA-N 491.934 3.608 10 10 JHCE O=C1NN(c2ccccc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1OCCCOc1ccccc1 2293606250 YNVDQJFWTMMVJX-UHFFFAOYSA-N 459.458 3.904 10 10 JHCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCc2cnc[nH]2)cc1 2294317160 CSECJSXJELEQQS-UHFFFAOYSA-N 458.547 3.885 10 10 JHCE Cc1ccccc1COc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 2297345799 CVFUTYYQSDYYRK-UHFFFAOYSA-N 482.587 3.974 10 10 JHCE N=C1C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352805 YFVUFPJIUNOVQN-UHFFFAOYSA-N 481.965 3.828 10 10 JHCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2297504954 VRROADJLNLGSDT-UHFFFAOYSA-N 485.905 3.752 10 10 JHCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)c1)C(=O)O 2314932234 UQRTYOWGSREKIC-QGZVFWFLSA-N 456.545 3.783 10 10 JHCE COc1cc(/C=C/C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc(OC)c1OC 20114375 GQXBMBZXFWQAOI-RMKNXTFCSA-N 476.577 3.973 10 10 JHCE COc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)c1 39793969 DYWCJSNIPROYBD-PXNMLYILSA-N 479.377 3.964 10 10 JHCE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 39990245 BATJWPMBKBSFMO-LMYOCQABSA-N 488.679 3.909 10 10 JHCE CCN(C(=O)c1ccccc1-c1ocnc1C(=O)N1CCC2(CC1)OCCO2)c1ccccc1 65080309 LTPDTOKDDNXDJV-UHFFFAOYSA-N 461.518 3.987 10 10 JHCE biogenic COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@@H]43)C[C@@H]2C)cc1 504246496 HORBAYPOSKXLJO-CPDPZVOXSA-N 454.611 3.731 10 10 JHCE biogenic Cc1cc(CCNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c(C)n1-c1ccccc1 731117734 VPYWMIACTOSYEP-AREMUKBSSA-N 487.648 3.833 10 10 JHCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)C2=O)cc1 1083923893 CGLYAPQWWDNAML-LDADJPATSA-N 467.459 3.500 10 10 JHCE CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1479532211 BJVIFCGRDCBJRA-RPBOFIJWSA-N 457.663 3.568 10 10 JHCE CCCC[C@@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC)C(=O)O 1860761374 SOUZGKYBLDRBGE-MRXNPFEDSA-N 460.552 3.825 10 10 JHCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011825 LQLXIEKBHKPLLJ-JOCHJYFZSA-N 478.524 3.544 10 10 JHCE CC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866708674 VFYFLGOCWLSCCT-ZJSXRUAMSA-N 469.541 3.598 10 10 JHCE CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870366866 MFWASTJENXJTJM-SANMLTNESA-N 498.023 3.965 10 10 JHCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2296541930 OOSUKMUSNAOKAI-KSZLIROESA-N 498.674 3.865 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3Cc4ccccc4CN3C(=O)c3ccccc3)CC2)cc1 3392479 GHAVFMKTIBQKIA-AREMUKBSSA-N 455.558 3.611 10 10 JHCE CCCC[C@H](NC(=O)c1ccc(OCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862061527 HRJXZIZROMTPRB-DEOSSOPVSA-N 453.583 3.731 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@@H]2c1ccc(O)c(O)c1 1865026885 SDHQLYCJSCJDOB-YPXVIYJXSA-N 466.582 3.744 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865031100 ZBFFDFNCLWZQGH-JOCHJYFZSA-N 474.561 3.941 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(O)CC4)nc(-c4ccccc4C)n3)CC2)cc1 1867957143 NIURKOVZIXZTKV-UHFFFAOYSA-N 459.594 3.748 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868612504 HADKTYBRBQXIHC-RUZDIDTESA-N 492.645 3.686 10 10 JHCE CCc1c(C)sc2nc(C(=Cc3ccc(N4CCOCC4)cc3)C(=O)N3CCOCC3)nc(O)c12 2040463748 MCPMWOMHCXOWIC-UHFFFAOYSA-N 494.617 3.504 10 10 JHCE O=C(C=C[C@@H]1CC=CCC1)Oc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2296538242 IMPCYPFETZEDOE-AEFFLSMTSA-N 489.640 3.893 10 10 JHCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=S 2314541414 LLHBDGFMOSINNJ-ZDUSSCGKSA-N 450.925 3.520 10 10 JHCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 2314837547 UFWOQUUBUBGSLN-CYBMUJFWSA-N 458.561 3.946 10 10 JHCE NS(=O)(=O)c1ccc(CN2C(=O)C(=Cc3ccc(F)c(Br)c3)SC2=S)cc1 2323686559 OLZVYOCCTFXMBR-UHFFFAOYSA-N 487.397 3.637 10 10 JHCE COc1ccc(N2CCN(C(=O)c3csc(Nc4ccc(OC)c(OC)c4)n3)CC2)cc1 9240185 AEJCBGWMGIUHGN-UHFFFAOYSA-N 454.552 3.875 10 10 JHCE CCOc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@H]2C=CC[C@H]21 14545473 QVKDORBORNEXDE-WZOHSFFVSA-N 453.608 3.848 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C(=N)N21 20206718 NIUJUQVBSZVONL-GQZSXMDHSA-N 498.586 3.594 10 10 JHCE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33452352 KYLGKNXOODBDMS-NKFAACEZSA-N 488.679 3.961 10 10 JHCE O=c1[nH]c2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)cc4)n3)cc2o1 71557503 DPHIGMVSGYTSQW-UHFFFAOYSA-N 452.311 3.808 10 10 JHCE COC(=O)c1c(C)sc(-c2c(-c3ccc(Br)cc3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 86076799 PJRYRIMONHIPHW-UHFFFAOYSA-N 490.335 3.514 10 10 JHCE Cc1cccc(OCCOCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)c1 103476122 SAPNHCNADAKQAO-PLRJNAJWSA-N 458.514 3.931 10 10 JHCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NCCSc1ccc(C)cc1 205943460 SIWGRFRWJYZBHG-HAVVHWLPSA-N 453.564 3.925 10 10 JHCE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc1 248055468 OITDCGIQCVGAQI-ANARSLNQSA-N 489.616 3.992 10 10 JHCE C[C@@H](Sc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 749751593 GULQNEKLIXYFDZ-CQSZACIVSA-N 465.552 3.985 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)Cc3ccc(OCc4ccccc4)cc3)cc2)CC1 1466881906 GAWLSDQVGYILSG-UHFFFAOYSA-N 457.574 3.793 10 10 JHCE O=C1CCCc2cc(-c3csc(NS(=O)(=O)c4ccc(F)c([N+](=O)[O-])c4)n3)ccc2N1 1859573296 LFBOHQRVHSYZRC-UHFFFAOYSA-N 462.484 3.933 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccccc3C)CC2)cc1 1861920876 JZQXTJSJNQPBHU-AREMUKBSSA-N 475.564 3.833 10 10 JHCE CCCC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861955924 QORFAJGHSHZJKE-NNALFKCQSA-N 480.565 3.640 10 10 JHCE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864016791 XLHSAVVYWFTWMT-QFIPXVFZSA-N 498.539 3.518 10 10 JHCE COc1ccc([C@@H](C2CCC2)n2nc(C3(C)CC3)c(C(N)=O)c2I)c(O)c1 2080032345 CFCATRHCZBJNDB-MRXNPFEDSA-N 481.334 3.742 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)C(=O)NC2=S)cc1 2294253467 XKYLZPVQSDODCX-UHFFFAOYSA-N 488.569 3.892 10 10 JHCE CCc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)cc1 2297352618 GXIQPBBNDDIVAQ-UHFFFAOYSA-N 462.579 3.565 10 10 JHCE COc1cc(C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 2297352638 IOBFNAOGAPSEDI-UHFFFAOYSA-N 489.557 3.895 10 10 JHCE CN(C)c1ccc(C=C2C(=O)NN(c3cccc(Br)c3)C2=O)cc1Br 2313656742 GPRRHILTWJZUNN-UHFFFAOYSA-N 465.145 3.739 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)O)SC2=S)cc1OC 2314930325 BBBGGZXPIDBIGG-AWEZNQCLSA-N 473.572 4.000 10 10 JHCE CCN(CC)c1ccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 2323840216 AAAFSZHHNWGYTL-UHFFFAOYSA-N 475.661 3.624 10 10 JHCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 20236685 NFJFRIQBVUJNNO-PABRXHDTSA-N 472.251 3.720 10 10 JHCE COc1ccc(-n2c(C)cc(CNS(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)c2C)cc1 21932796 TYEBZYZZBQNJTC-QGZVFWFLSA-N 467.591 3.879 10 10 JHCE CCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(OC)cc2)C1=O 35300227 OXVDSLPBPLHVIE-SFQUDFHCSA-N 452.561 3.536 10 10 JHCE CC(=O)N1C(=O)/C(=C2/SC(Nc3ccc(F)cc3)=NC2=O)c2cc(Br)ccc21 35625671 COGBPKGSUIAAFS-FOCLMDBBSA-N 460.284 3.934 10 10 JHCE CCCCN1C(=O)/C(=C/Nc2ccsc2C(=O)OC)C(=O)N(CCc2ccccc2)C1=O 100176375 CHQGXDKECYAFGE-ICFOKQHNSA-N 455.536 3.664 10 10 JHCE O=C(Cn1cc(/C=C2\C(=O)N(Cc3cccs3)C(=O)N=C2O)c2ccccc21)NC[C@@H]1CCCO1 102587061 UWHVLFZQCZKZOT-BCUAHEQISA-N 492.557 3.500 10 10 JHCE COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 170551178 JPLUBKUJPDDLPY-UHFFFAOYSA-N 451.957 3.909 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCCC(=O)NCc3ccccc3)C2=O)cc(OC)c1O 210732960 RLOOWSNDVVAMEY-CPNJWEJPSA-N 472.588 3.707 10 10 JHCE CCOC(=O)Oc1ccc(C(=O)Nc2ccccc2CNC(=O)c2cc(O)c(O)c(O)c2)cc1 216651909 QQXYYHOUQXHGQX-UHFFFAOYSA-N 466.446 3.521 10 10 JHCE COc1ccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@@H]43)C[C@H]2C)cc1 504214210 QNAQXRSCTQFKEU-JKLKZWCRSA-N 454.611 3.733 10 10 JHCE biogenic CC(=O)N(C)C1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)O)CC1 1749771752 AMMBLUDAIXIOHK-UHFFFAOYSA-N 464.614 3.571 10 10 JHCE CCC[C@@H](NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862101484 NYDDLSHCFUALEP-HSZRJFAPSA-N 477.609 3.942 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3CCCn3ccnc3)CC2)cc1 1870613918 YWNQLASZFBRNCK-UHFFFAOYSA-N 491.636 3.811 10 10 JHCE CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870707654 LNUUVVQLERICII-UHFFFAOYSA-N 490.604 3.525 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc1)C(=O)O 2314926978 WTNDNWOCLZKYMK-MRXNPFEDSA-N 487.511 3.731 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCNC(=O)COc3ccccc3Cl)C2=O)c1 2320656165 HZVKJSJCGZQFPX-UHFFFAOYSA-N 462.980 3.745 10 10 JHCE Cc1ccc(CN(C)C(=O)C(F)(F)CNC(=O)OCc2ccccc2)c(O)c1Br 2352945374 UZWIAUOXAMRMBB-UHFFFAOYSA-N 471.298 3.983 10 10 JHCE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccccc2O)cc1 21659103 GTPYYWGTDVACLM-QHCPKHFHSA-N 480.524 3.924 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(F)cc4F)n3)CC2)cc1 33309932 IVJPFIHEZWDQLO-UHFFFAOYSA-N 471.533 3.821 10 10 JHCE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 33473090 PTHWQBZSAAQUII-XNHPLOEXSA-N 486.663 3.665 10 10 JHCE COCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33509061 ZKTZCUAYUIWFMF-PDGQHHTCSA-N 472.636 3.841 10 10 JHCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(F)cc4C)ncn3)CC2)cc1 65133723 QQKDREUICODJKV-UHFFFAOYSA-N 467.570 3.990 10 10 JHCE CN(C)c1ccc(CN(C)c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)cc1 85393535 SREYOKUEKNYYOK-UHFFFAOYSA-N 478.603 3.874 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(C)cc1 252677816 ZXRIHKWADUKXBI-VWLOTQADSA-N 489.641 3.953 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)NC3(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1 727601541 BFHFCKNKEVPROI-UHFFFAOYSA-N 462.516 3.825 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)NCc3ccc(Oc4cccc(OC)c4)nc3)CC2)cc1 743362354 AOCBFXBGCIXGAU-UHFFFAOYSA-N 491.592 3.513 10 10 JHCE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1435335459 ZGNVTWIDNUVTBG-XXBNENTESA-N 457.521 3.909 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1861922730 MPERPKLSONCORD-HXUWFJFHSA-N 479.524 3.578 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864014531 XKZKEQWHYIUTKM-OAQYLSRUSA-N 486.613 3.529 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864020308 ANPYHLIQYFDUKF-FQEVSTJZSA-N 482.968 3.931 10 10 JHCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029784 VFWREOLVEADBPB-JOCHJYFZSA-N 492.576 3.808 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2cc(=O)c3ccc(C(F)(F)F)cc3[nH]2)c2nccn2C)cc1 1866536858 DXFQZJIKHAJMFF-NRFANRHFSA-N 469.467 3.866 10 10 JHCE CC[C@H](NC(=O)[C@@H](Cc1ccccn1)c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868663625 HGYLKEGKZFJPSY-SVBPBHIXSA-N 486.616 3.660 10 10 JHCE CCCN1C(=O)C(NC2CCN(C(=O)OCC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162052 DJHBNXHCDLVRHS-UHFFFAOYSA-N 478.593 3.795 10 10 JHCE Cc1ccc(CN2C(=O)C(NCCN3CCOCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873169778 GNTRXERJBANQBM-UHFFFAOYSA-N 498.627 3.604 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CCCSC)CC2)cc1 1874643512 YZYHWWMKFVJIJE-RUZDIDTESA-N 494.661 3.696 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(I)c3O)C2=O)cc1 2313510283 IUPVNQNKJAKPEG-UHFFFAOYSA-N 482.661 3.625 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)O 2314935885 SLUZRAYFKHGJIK-AWEZNQCLSA-N 486.571 3.792 10 10 JHCE CCOc1ccc(C=CC(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OC 2330616421 BVFASLLLZKPUJM-NDEPHWFRSA-N 495.620 3.749 10 10 JHCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 59600370 HNPCLSUVYDOQQC-KZVLXBEFSA-N 493.604 3.784 10 10 JHCE COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 96460925 LEHRPIRJGCDERE-GESHDMKESA-N 485.591 3.503 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 96572139 MYSFWULYBYQNFF-MFOYZWKCSA-N 489.487 3.952 10 10 JHCE O=C(Nc1c(Cl)cccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1859549526 WYELFSKUQYBLJW-UHFFFAOYSA-N 478.844 3.815 10 10 JHCE CCCC[C@H](NC(=O)c1ccc2nc(CC)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861890362 QMABMFWOVPRQJQ-QHCPKHFHSA-N 477.609 3.771 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864017490 NOQZCWZFGUZLGN-NRFANRHFSA-N 460.534 3.599 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018408 KNXBZLCASNTEJT-JOCHJYFZSA-N 494.567 3.901 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865034173 QWUAZFXYVYPWGK-QGZVFWFLSA-N 494.514 3.922 10 10 JHCE COc1ccccc1C(=O)NC(C)(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867907269 AFJSLOCHATUEKA-HSZRJFAPSA-N 466.626 3.613 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4ccc(C)c(Cl)c4)[nH]3)CC2)cc1 1871488515 DZWAPILITMDXBY-UHFFFAOYSA-N 482.032 3.824 10 10 JHCE CCCCNC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872824718 IZGDLCYPSIPZNT-UHFFFAOYSA-N 481.622 3.542 10 10 JHCE CCOC(=O)c1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1I 2079261397 URBZLLMREZOUQQ-UHFFFAOYSA-N 458.149 3.576 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N21 2297345463 YLOSLWFBUAWDLJ-UHFFFAOYSA-N 474.951 3.540 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1 2313548804 GFICEPRDULFWAR-UHFFFAOYSA-N 456.498 3.979 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(OC)c(OC)c(OC)c1 2313682575 GHZJSNUUMRWICY-UHFFFAOYSA-N 496.545 3.974 10 10 JHCE COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 33292930 HQHIZQWSOSBWCH-UHFFFAOYSA-N 477.590 3.745 10 10 JHCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 33408861 KNQWXAOZKKOBGV-GHRIWEEISA-N 488.635 3.695 10 10 JHCE COc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C(C)C)C2=O)cc1 35340766 VNMARFLSJIKEIA-LDADJPATSA-N 466.588 3.925 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)Nc3ccccc3OC)c3ccco3)CC2)cc1 38619988 YWEMKEYCXVJJMP-QFIPXVFZSA-N 450.539 3.982 10 10 JHCE O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 59788292 QLJMMGLFDUJOFW-UHFFFAOYSA-N 485.481 3.886 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OC(=O)c1ccco1 102469893 XGUADWOBHCSJKL-XQFFYOLASA-N 464.381 3.689 10 10 JHCE [N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 142100877 KGAGOHZZTZIRRC-UHFFFAOYSA-N 484.553 3.902 10 10 JHCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1C 213166290 IJXLNYOQCRDABV-ATVHPVEESA-N 481.555 3.780 10 10 JHCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NNc1nc(O)c2cc(Br)ccc2n1 254526152 NCAPAIWMDIYSBS-DHDCSXOGSA-N 473.718 3.974 10 10 JHCE O=C(O)CCCNC(=O)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586627851 FZCHAKQDEBFFDM-UHFFFAOYSA-N 471.469 3.701 10 10 JHCE CC(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCN([C@H](C)c3ccccc3Cl)CC2)c1 913062387 NQCRVDWCQHXFKB-LJQANCHMSA-N 472.029 3.959 10 10 JHCE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864010783 WKSRVNCCTVTIMG-NPMXOYFQSA-N 492.576 3.839 10 10 JHCE CCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871568667 BHMJWMHBYCCQKL-UHFFFAOYSA-N 453.978 3.766 10 10 JHCE O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1c1cc(O)c(O)c(O)c1 1951590564 FJDCYVYTIIADKL-PMACEKPBSA-N 461.470 3.853 10 10 JHCE COc1cc(OC)c(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 2294741856 PGQHQMBOYRPTCV-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE C[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1)C(=O)O 2314931771 QNKRVPVURPDVNN-NSHDSACASA-N 462.936 3.738 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1ccc(F)cc1 20287150 XZXIXUGCXINIBW-KGENOOAVSA-N 452.511 3.807 10 10 JHCE CN(C)c1ccc(CNC(=O)c2cccc(CN3C(=O)[C@@H]4CCCN4C(=O)c4ccccc43)c2)cc1 35459457 CXWVFJAPSHRVSA-SANMLTNESA-N 482.584 3.834 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 35518411 RJGNIZYUHVEKGH-XMHGGMMESA-N 486.575 3.963 10 10 JHCE CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCC(=O)NC(C)C)cc1 100208222 NPOMCJXTYQWGBB-HZHRSRAPSA-N 478.545 3.866 10 10 JHCE CN1C(=O)C(C)(C)c2cc(-c3csc(NS(=O)(=O)c4ccc(C(=O)O)cc4)n3)ccc21 170549574 USVHZRRKAGGCIS-UHFFFAOYSA-N 457.533 3.563 10 10 JHCE CN1CCN(Cc2ccc(N3C(=O)C(O)=C(c4cccs4)[C@@H]3c3ccc(O)c(O)c3)cc2)CC1 526603215 KANKYIBTBZQLRF-DEOSSOPVSA-N 477.586 3.964 10 10 JHCE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)c(N(C)C)o2)C1=O 1083953845 SHUMSJSJDKXQBO-GHXNOFRVSA-N 497.143 3.845 10 10 JHCE CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc12 1860260956 MDOJHXKEPKVJCR-GOSISDBHSA-N 450.535 3.789 10 10 JHCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865028992 CWOTWSVMANZPPX-VVUMAWNLSA-N 480.609 3.906 10 10 JHCE CCCN(CCC)c1cccc(C(=O)N[C@H](CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868602527 BHQGXGREYBUDQJ-HSZRJFAPSA-N 481.641 3.574 10 10 JHCE COc1ccc([C@H](n2nc(C(C)C)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2079998702 BSZJHBCTMSDBRR-INIZCTEOSA-N 469.323 3.814 10 10 JHCE Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1 2294217009 YUFDRNOQALVUOZ-UHFFFAOYSA-N 450.447 3.924 10 10 JHCE O=C(NN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)c1cccc([N+](=O)[O-])c1 2297319433 AELGLVMCMKFIJJ-UHFFFAOYSA-N 464.322 3.904 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc(Br)c(N2CCCC2)o1 2313562489 UBQZKMNOJCGVSI-UHFFFAOYSA-N 464.703 3.962 10 10 JHCE CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(I)c1O 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CCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 2296753930 BSGQHJDKMFLHBB-UHFFFAOYSA-N 484.559 3.800 10 10 JHCE CCN(Cc1ccccc1)C(=O)CN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2296881587 PVCQZADJURCLDI-UHFFFAOYSA-N 486.615 3.962 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)O)cc2)o1 2297309364 WWIAMJLCDVVSRD-UHFFFAOYSA-N 453.248 3.869 10 10 JHCE CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1cc2c(cc1Br)n(C)c(=O)n2C 2297512176 DOVZDGKHWUMSDS-UHFFFAOYSA-N 454.328 3.666 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2328567137 UEBVWXWEWQLRBC-HSZRJFAPSA-N 488.053 3.949 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)cs1 11857718 PTYFCVYCRLKYJI-UHFFFAOYSA-N 459.549 3.592 10 10 JHCE C[C@H](NC(=O)CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 15036995 JBZHYJGKNBHDLG-JFENUBAZSA-N 450.541 3.784 10 10 JHCE CCN1C(=O)/C(=C\c2c(N(C)Cc3ccccc3)nc3c(C)cccn3c2=O)SC1=S 34378156 VPQIZSSQFCQZRP-QGOAFFKASA-N 450.589 3.860 10 10 JHCE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152401 XCPZRANJWUURLU-FFCYNSPCSA-N 458.477 3.731 10 10 JHCE CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)C(=O)O1 59336882 GPBINNHBDPVICP-UHFFFAOYSA-N 475.475 3.608 10 10 JHCE O=C1N=C(O)/C(=C\NCCC2CCN(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1 102698116 HPVCXTXHVPITLV-LYBHJNIJSA-N 460.578 3.924 10 10 JHCE CCN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2)CC1 586712337 HTYFDDBWTHTPRY-UHFFFAOYSA-N 482.540 3.884 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(SC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084538262 ZCARHIXSGAWJOD-QHCPKHFHSA-N 493.654 3.586 10 10 JHCE CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)ccc21 1858074692 RCAQUSKGJMHSLE-SANMLTNESA-N 484.666 3.557 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3cccc(OCC(C)C)c3)CC2)cc1 1862255608 GLOLFDUHYHWNIT-RUZDIDTESA-N 499.677 3.930 10 10 JHCE CC[C@@](C)(NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862263061 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COc1ccc(N2CCN([C@H](CNS(=O)(=O)Cc3ccccc3Cl)c3ccco3)CC2)cc1 38619303 BVZJVCDLXZSIAR-HSZRJFAPSA-N 490.025 3.925 10 10 JHCE O=C(NN1C(=O)/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)SC1=S)c1ccc(Cl)cc1 40940290 YSYFBNJMVUISGX-YPKPFQOOSA-N 460.880 3.766 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(C(=O)O)cc1 47152186 LUKRGUUGFJFGNH-WJDWOHSUSA-N 457.489 3.523 10 10 JHCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526310584 RKJFCAGRGSNOIZ-DEOSSOPVSA-N 493.585 3.856 10 10 JHCE CCCCNC(=O)COc1cccnc1NC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858838931 VFNJHXBKNGBISL-UHFFFAOYSA-N 472.501 3.796 10 10 JHCE CCCc1ccc(OCC(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862196939 FUDBSYGVKOVFKO-MHZLTWQESA-N 467.610 3.660 10 10 JHCE CC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862259208 XALPLUDKBQNNNS-FQEVSTJZSA-N 450.366 3.859 10 10 JHCE COC(=O)c1c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccccc1 1866204499 MOKOMOBABRLLHN-MOPGFXCFSA-N 464.543 3.724 10 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3.805 10 10 JHCE BrC1=CCCN(c2nnc([C@@H]3CCOC3)n2CCCSc2nccs2)C1 1740535396 VAFUWGRUEDFKNQ-CYBMUJFWSA-N 456.435 3.910 10 10 JHCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864011595 WCLTZWZSZOQCJF-LJQANCHMSA-N 468.941 3.720 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030671 OKEMOBWDIJDFTD-ZHRRBRCNSA-N 489.576 3.584 10 10 JHCE CCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871640408 YYILYCPHVQVINB-UHFFFAOYSA-N 461.614 3.524 10 10 JHCE COc1ccc(O)c([C@H](C)NC2CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C2)c1 2271978189 NQKVNDWAORSMIP-INIZCTEOSA-N 465.591 3.908 10 10 JHCE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3nc4ccccc4s3)o2)SC1=S 2296820135 ZUTDAWTWLZTAEP-LLVKDONJSA-N 460.514 3.685 10 10 JHCE CCN1C(=O)C(=Cc2cn(CCCOc3ccccc3OC)c3ccccc23)C(=O)NC1=S 2313656584 IJJARFNQMGWUAD-UHFFFAOYSA-N 463.559 3.766 10 10 JHCE CCOc1ccc(C=CC(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2330598721 MKDRYRKSRBPCRH-HHHXNRCGSA-N 465.594 3.741 10 10 JHCE CC(C)CN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 38732748 SCXABRCFWGJVTF-UNOMPAQXSA-N 454.621 3.794 10 10 JHCE Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)/C=C/c2ccc(N(C)C)cc2)s1 40176137 VNKXUSSZIHRJTJ-MDWZMJQESA-N 483.619 3.706 10 10 JHCE CCN1CCN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 586658282 GKMRVNUXTRCFAR-UHFFFAOYSA-N 482.540 3.884 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)CC1 857490181 DFSUYTMJCOKJEB-HNNXBMFYSA-N 450.366 3.746 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(C(C)C)s2)sc(C)c1-c1ccccc1 1860766447 ZRQPUDXYLFIHMU-UHFFFAOYSA-N 458.565 3.874 10 10 JHCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)c3ccc(Cl)cc3)c3ccccc32)SC1=S 1860827042 PBBHUUKPGSJGKR-HNENSFHCSA-N 486.958 3.616 10 10 JHCE CC[C@@H](NC(=O)c1ccc2nc(CC(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862107028 INJZPNVGFNQSEG-JOCHJYFZSA-N 477.609 3.627 10 10 JHCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865025950 GMXCOCFBYDDJQF-NPMXOYFQSA-N 492.551 3.886 10 10 JHCE Cc1nc(C)c(CC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866569109 AMJWPABTMSTBKI-UHFFFAOYSA-N 461.543 3.611 10 10 JHCE Cc1ccc([C@@H](C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866958568 XULGFJVHMLUAEC-ZEQRLZLVSA-N 484.552 3.626 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(C)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981714 DNRNGGZSXRUOEU-UHFFFAOYSA-N 479.028 3.884 10 10 JHCE CCCCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870369894 JKEJZJDRVMQBTP-UHFFFAOYSA-N 485.625 3.701 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCCCCOc3cccc(C)c3)CC2)cc1 1872636086 ZJXKJLVXPSFFNT-UHFFFAOYSA-N 480.565 3.516 10 10 JHCE CN(CCCOCc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2136254352 WJMOINRPCKQKCE-FQEVSTJZSA-N 458.555 3.599 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(SCc4ccccc4)o3)C(=O)N=C2S1 2297349937 DVHHFIWKBACISW-UHFFFAOYSA-N 460.562 3.583 10 10 JHCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OC(=O)C=C1SC(=O)NC1=O 2314397449 OCLJLSLNWJIROK-UHFFFAOYSA-N 467.890 3.918 10 10 JHCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 2314767794 IPMKIPMVNVEYDX-NRFANRHFSA-N 484.599 3.961 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCNC(=O)c3ccc(Br)o3)C2=O)c1 2320656182 RBZXLLCDTHRJJY-UHFFFAOYSA-N 467.366 3.682 10 10 JHCE O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9914984 WBPPQQGDSZJHSK-UHFFFAOYSA-N 451.475 3.794 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1O 15039826 PXQRVYMECVHURN-PDGQHHTCSA-N 474.560 3.735 10 10 JHCE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C(C)C)C3=O)c3ccccc32)c(OC)c1 33374330 KLEFHKUBSBVQNT-QZQOTICOSA-N 497.598 3.669 10 10 JHCE CCCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c(C#N)c1=O 40066968 TVIWWWYSYYGOFN-ODLFYWEKSA-N 496.614 3.726 10 10 JHCE CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)c1C 96460587 GGEAPHTWZOFFCK-OLOAGALHSA-N 469.592 3.668 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@H](C(=O)NCc4ccccc4F)[C@H]3C2)cc1 248143007 QVVUECTUEHBECS-JYFHCDHNSA-N 490.535 3.926 10 10 JHCE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(N(CC)CC)cc1 1705488967 IGGFFZBVEVYYCX-IBGZPJMESA-N 479.654 3.591 10 10 JHCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864007901 XJNMSWIOWTWKMI-OAQYLSRUSA-N 480.952 3.999 10 10 JHCE CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868759852 AECHWOMLTZOHPE-RUZDIDTESA-N 489.620 3.827 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)[nH]c(=Nc4cccc(F)c4)[nH]3)CC2)cc1 1871547211 AKYSIFHKJLIYKC-UHFFFAOYSA-N 499.594 3.854 10 10 JHCE CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873649970 FLFDELXMTXPPOD-UHFFFAOYSA-N 496.575 3.915 10 10 JHCE CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 2297315734 LOOQHJJVAOCGSH-UHFFFAOYSA-N 492.576 3.689 10 10 JHCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)c2C)cc1 2297345588 KDDBBTHACARLQN-UHFFFAOYSA-N 485.591 3.504 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)C(=O)O 2314926819 SVPWJARVZIYMCG-IAGOWNOFSA-N 471.556 3.826 10 10 JHCE Cc1ccc2c(c1)N(CCCS(=O)(=O)O)/C(=C/c1sc3ccccc3[n+]1CCO)S2 3639874 PMPSHAFDUIOHIO-UHFFFAOYSA-O 463.626 3.678 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(N4C(=O)[C@H]5[C@H]6CC[C@@H](C6)[C@H]5C4=O)ccc3Cl)CC2)cc1 101448713 WXTQJHUWKPZDCT-WDIJOQRFSA-N 493.991 3.847 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cccs1 252673023 QRIUOHPKSMZLNA-JOCHJYFZSA-N 481.643 3.706 10 10 JHCE COc1ccc(Cl)cc1S(=O)(=O)N(C(C)=O)c1cccc2c1C(=O)c1ccccc1C2=O 586311966 AQIUJRQSBHFQKX-UHFFFAOYSA-N 469.902 3.866 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccc(F)cc3)n2CCCSc2nccs2)C1 1508198429 SSGFFZUCRMWNRC-IBGZPJMESA-N 488.658 3.952 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)Nc2sc(C)cc2C(N)=O)sc(C)c1-c1ccccc1 1860768126 WYHXSZXBMKRTNE-UHFFFAOYSA-N 471.560 3.946 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864009036 YBCRAGABZQCHLA-DEOSSOPVSA-N 482.540 3.662 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864014213 PLHCCSSKFBPYIG-HXUWFJFHSA-N 456.587 3.760 10 10 JHCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030110 CNNJWKFEWWZIOE-JOCHJYFZSA-N 492.551 3.751 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(C)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1867965746 KDYIQCMZQDOOMW-UHFFFAOYSA-N 458.610 3.539 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3ccccc3F)CC2)cc1 1868600006 KZNOCTHJAPQFAO-HHHXNRCGSA-N 489.591 3.843 10 10 JHCE COCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420909 YPHQSUJNSLGJKT-UHFFFAOYSA-N 455.518 3.809 10 10 JHCE CCCCn1c(C(=O)N2CCCC2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873551927 DCWFVAGSYMZFGY-UHFFFAOYSA-N 462.598 3.803 10 10 JHCE Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 2059843744 YOHWAKAHAMWPDT-UHFFFAOYSA-N 458.562 3.701 10 10 JHCE COc1ccc([C@H](C(C)C)n2nc(C(F)F)c(CN)c2I)c(O)c1 2079880986 RKBDHJDEPYYROZ-AWEZNQCLSA-N 451.255 3.844 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3cc(Cl)ccc3OC)C2=O)cc1 2297346658 GLOSGBGBGRHTHB-UHFFFAOYSA-N 451.866 3.814 10 10 JHCE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2313558767 JGVCWSYPOPQDNU-UHFFFAOYSA-N 494.504 3.981 10 10 JHCE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 2314831408 KMBRLZAKOWROEG-UHFFFAOYSA-N 473.532 3.929 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCCC(=O)O 2314931738 IDKBKNWTNIULAI-UHFFFAOYSA-N 492.962 3.748 10 10 JHCE O=C(NN1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S)c1ccccc1Br 35624544 JTNFVGIISMIVFN-NTEUORMPSA-N 463.334 3.694 10 10 JHCE CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619266 QEDDIKDZWNPGFU-DEOSSOPVSA-N 485.606 3.529 10 10 JHCE COC(=O)CCCCCN1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S 40927998 SUGHRSGRSPUHLY-NXVVXOECSA-N 483.409 3.730 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(I)cc1 101350852 DXTBZEYXURKTIA-NTEUORMPSA-N 467.650 3.523 10 10 JHCE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 728750421 XQBZRQJZKOGKGW-LJQANCHMSA-N 466.601 3.912 10 10 JHCE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 1084138214 SFJJZSXGQLEGOP-WOJGMQOQSA-N 480.868 3.630 10 10 JHCE CC(=O)N(Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1)C(C)C 1465624579 IQHAVKWXSFOAAP-UHFFFAOYSA-N 452.599 3.974 10 10 JHCE Cc1ccc(CCCC(=O)NCc2ccc(S(=O)(=O)NC(=O)Oc3ccc(N)cc3)cc2)cc1 1858959498 MJQGKPJNUNILKF-UHFFFAOYSA-N 481.574 3.694 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4nc(C)[nH]c4c3)CC2)cc1 1862104409 GQTAJKCSOOSURA-MHZLTWQESA-N 497.599 3.570 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873169742 ULSIQRCMAVTCLZ-UHFFFAOYSA-N 498.627 3.686 10 10 JHCE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 2297350898 YMAJFCYWRMIQIX-UHFFFAOYSA-N 459.414 3.546 10 10 JHCE CCOc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC 2313558571 DTVWYCCMSVQSNH-UHFFFAOYSA-N 479.327 3.827 10 10 JHCE COc1ccc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 2314837284 QLXRLEDBNJRLRK-LBPRGKRZSA-N 473.532 3.840 10 10 JHCE O=C(CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc(O)cc1 15035944 MMMOCUUAHPQPFR-NVNXTCNLSA-N 465.350 3.700 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)Cc3ccccc3Cl)c3ccco3)CC2)cc1 38619301 BVZJVCDLXZSIAR-QHCPKHFHSA-N 490.025 3.925 10 10 JHCE CCOC(=O)C1=C(C)N=C(SCC(=O)c2ccc(O)c(O)c2)N[C@H]1c1ccc(OC)cc1OC 59456344 YDNWEZVIYJJIPB-QFIPXVFZSA-N 486.546 3.569 10 10 JHCE CN(C)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 102592239 XTWXXTIJKMFSLI-OBGWFSINSA-N 450.589 3.595 10 10 JHCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 104378026 MQLNRKNJBFSQJU-UDWIEESQSA-N 456.889 3.999 10 10 JHCE CN(C)[C@@H](CNC(=O)CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccco1 205607427 DTYNWBVMBBYOIV-AMRJIULGSA-N 461.584 3.819 10 10 JHCE CCCC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862077893 VQTUFZDABRSNLO-RUZDIDTESA-N 489.620 3.893 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCOc3ccccc3)CC2)cc1 1862266315 NEBSMWBJTFYQDT-MHZLTWQESA-N 487.600 3.540 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864008704 QCCKFQUFVVFMSA-FKIZINRSSA-N 468.941 3.855 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029625 RSMNMZSXQBIIOW-QFIPXVFZSA-N 474.561 3.612 10 10 JHCE CCc1cccc(C)c1N1C[C@H](C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865922190 IOKXYRLMGFLDMX-ZJSXRUAMSA-N 459.594 3.616 10 10 JHCE CCC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866702555 LDNYQHNEFYVKCV-ILBGXUMGSA-N 483.568 3.988 10 10 JHCE CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868831491 LRMDTEDLLINCPW-SDHOMARFSA-N 467.585 3.962 10 10 JHCE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)NCc1ccccc1 1870819736 WXQUPKYIXWOIJV-UHFFFAOYSA-N 498.583 3.892 10 10 JHCE COCCCN1C(=O)C(=Cc2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 2314414860 PAKLFDBURVOFGE-UHFFFAOYSA-N 494.642 3.895 10 10 JHCE COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1OCC(=O)NCc1ccco1 33723316 UTAPPQVESCGUGD-RGVLZGJSSA-N 484.555 3.978 10 10 JHCE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)c1 213208620 LGWYBUWKEATUMM-YVLHZVERSA-N 481.555 3.698 10 10 JHCE CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 253571191 OQHDJKOAAXJADC-RBZQAINGSA-N 494.503 3.649 10 10 JHCE C#CCCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCS(C)(=O)=O 1705510703 WMNOOJYCAOQCRK-UHFFFAOYSA-N 453.612 3.637 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc3nc(O)oc3c2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2 1859573592 NOUDTAFYTGJBPC-UHFFFAOYSA-N 470.532 3.996 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)/C=C/c3ccccc3Cl)CC2)cc1 1862147205 ORKOFMSQMNCBAI-NOUTYMABSA-N 472.010 3.612 10 10 JHCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864011251 SGSQYMXSXWEOSQ-HXUWFJFHSA-N 480.952 3.863 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864014038 LVXDPGRBARGWPL-FQEVSTJZSA-N 482.968 3.931 10 10 JHCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030688 OTHHUNVRDHHFOP-JOCHJYFZSA-N 494.567 3.997 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(N2CCCCS2(=O)=O)c1 1868164349 KXCNZFAMUAQNNJ-UHFFFAOYSA-N 460.511 3.644 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCC(C)C)n4CC(C)C)CC2)cc1 1873576008 FGEYDYGBNJPVOF-UHFFFAOYSA-N 464.614 3.808 10 10 JHCE CCCC[C@@H](NC(=O)C=Cc1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328607996 NHRCUHCFGUZNJN-HSZRJFAPSA-N 480.565 3.640 10 10 JHCE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21 2533651 VFMNQELXADUHKX-VNRULFPQSA-N 493.610 3.731 10 10 JHCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cccc(OC)c3)ccc21 15962015 JWWWLRILINVXAZ-UHFFFAOYSA-N 468.667 3.999 10 10 JHCE Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc(N(C)C)cc2)c1 64972509 ABIGWGOFFJXELC-VWLOTQADSA-N 477.630 3.801 10 10 JHCE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c1 726566098 YQBQJGRSYRUARH-UHFFFAOYSA-N 460.481 3.604 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4cc(C)ccc4OC)c4ccccn34)CC2)cc1 1858234606 RVQWQTICGBWNHU-UHFFFAOYSA-N 499.571 3.875 10 10 JHCE Cc1nc2scc(C)n2c1/C=C1/SC(=S)N([C@H](Cc2ccc(O)cc2)C(=O)O)C1=O 1858590189 BAKQLSADPKFPIL-FUXXUDPSSA-N 459.574 3.615 10 10 JHCE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCNCc1cc(Cl)ccc1O 1860661208 VIXXUSDQRXGANV-UHFFFAOYSA-N 477.989 3.798 10 10 JHCE CCc1ccc(OCCCC(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862230582 SYNAGGOFPGBXBM-RUZDIDTESA-N 497.661 3.667 10 10 JHCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029960 ZFHWFWDDMWCZJT-JOCHJYFZSA-N 474.561 3.861 10 10 JHCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C 1952346771 OTRJVZCTFJVGAU-IAGOWNOFSA-N 450.532 3.502 10 10 JHCE CCOc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2314650447 HLFGTNJGIXHIEU-HNNXBMFYSA-N 461.517 3.865 10 10 JHCE Cc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 16293241 WDEGXFNJKVPBBC-PXLXIMEGSA-N 490.541 3.683 10 10 JHCE CCCCN(C)c1c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c(=O)n1C 33458226 GGXLKOWZEFBMNL-WOJGMQOQSA-N 456.593 3.796 10 10 JHCE Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C(=O)NC1=S 101517900 FSVXGZZSDNORQO-ATVHPVEESA-N 465.918 3.969 10 10 JHCE CCOc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 104337354 UHNCJMHDKQCZEL-XPWALMASSA-N 467.477 3.780 10 10 JHCE O=C1CN(c2ccc(CNc3ccc(-n4ncc(Cl)c(Cl)c4=O)cc3Cl)cc2)CCN1 108081966 IJSRJEKOBXVFBM-UHFFFAOYSA-N 478.767 3.741 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 1084373212 UBQZKMNOJCGVSI-ZROIWOOFSA-N 464.703 3.962 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(OC(F)F)cc(OC(F)F)c3)c2)CC1 1537424111 QFBYEBRQCSNGHN-UHFFFAOYSA-N 455.408 3.810 10 10 JHCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)=O)cc3)sc2CCC(=O)O)cc1 1858035157 STJDSRNUUTWSEP-UHFFFAOYSA-N 460.533 3.839 10 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469.969 3.861 10 10 JHCE N=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102478394 OPIGFILVUYUDDW-CXJFQJJYSA-N 473.558 3.897 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@H](C(=O)NCc4ccccc4F)[C@@H]3C2)cc1 104915333 QVVUECTUEHBECS-BVAGGSTKSA-N 490.535 3.926 10 10 JHCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526478645 HQVIEZBBHBTLIW-QHCPKHFHSA-N 477.469 3.959 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCCO)[C@@H](C)C1 1301714023 UHFDJQKZILXHAL-NRFANRHFSA-N 478.641 3.962 10 10 JHCE CC(=O)c1ccc(CNC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)nc1C 1566436346 YJRHJFHQTNVSSE-WOJGMQOQSA-N 459.618 3.952 10 10 JHCE CN(C(=O)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2c1C(=O)c1ccccc1C2=O 1615947500 CHWZWFDZOFCYSD-UHFFFAOYSA-N 454.891 3.650 10 10 JHCE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1)[C@@H]1C[C@@H]1C 1662054283 OADFJXMWUWHNQU-AVRWGWEMSA-N 450.583 3.978 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)[C@@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862204596 HORTULNSIZVQLG-PXDATVDWSA-N 479.621 3.926 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032346 APJAPUHDCNYBIY-HSZRJFAPSA-N 488.588 3.858 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033615 DSKBYTRXENJDHO-LRDDRELGSA-N 480.487 3.676 10 10 JHCE CC[C@H](NC(=O)c1cccc(F)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867839138 UNRWDOBFNXNUEO-ZEQRLZLVSA-N 454.590 3.744 10 10 JHCE COC(=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)o1 2294253457 WJYNLRSGIADZCX-UHFFFAOYSA-N 462.483 3.573 10 10 JHCE CC(=O)Nc1c(C)noc1C=Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1 2297425440 FGAIFYSNSKRNPH-UHFFFAOYSA-N 454.552 3.656 10 10 JHCE COC(=O)c1ccc(NCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2297617191 WKPVSIQXJJEEKU-UHFFFAOYSA-N 474.560 3.770 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)NC3=O)c3cc(Br)ccc32)c1 2314951611 FBWRMTAUBHAQOF-UHFFFAOYSA-N 488.388 3.602 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)N(CCO)Cc1ccccc1 16922664 FHKGDKRXZDITOQ-RGEXLXHISA-N 492.569 3.900 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3ccccc3)c3ccc4c(c3)OCO4)CC2)cc1 20614520 DCEPRLPIRHGOON-XMMPIXPASA-N 459.546 3.717 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3ccc(C)c(Cl)c3)c3ccco3)CC2)cc1 38619755 GXZPUEVWICMOTI-QHCPKHFHSA-N 496.995 3.868 10 10 JHCE CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 59186059 PNTDAEFCTDCFLP-NTUHNPAUSA-N 465.340 3.746 10 10 JHCE COC(=O)c1c(C)sc(-c2c(-c3ccc4cc(OC)ccc4c3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 86076767 WHVOKYNSFYILKB-UHFFFAOYSA-N 477.498 3.902 10 10 JHCE CCOc1cc(/C=C2\SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCCC(=O)O 210469479 GDNAIGPUKMWIDP-MOSHPQCFSA-N 469.519 3.980 10 10 JHCE CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616588320 LFNIPGXHEHYFCA-ZSXJVMONSA-N 469.494 3.687 10 10 JHCE COc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 1084242536 SPTAVUDPRYHEQQ-FYJGNVAPSA-N 459.506 3.693 10 10 JHCE C=CC(=O)Nc1cccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c1 1444499037 DZEFCYKHJKZQBR-NRFANRHFSA-N 452.555 3.873 10 10 JHCE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)NCc3ccc(N4CCSCC4)cc3)cc21 1659591829 XTIDFQHHWPOXBE-QGZVFWFLSA-N 459.637 3.578 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864007922 XQNLRBIAOGZMIP-ODXCJYRJSA-N 468.941 3.855 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864013392 WPTVMDWEBUDTLY-OAQYLSRUSA-N 477.565 3.632 10 10 JHCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030015 ABBYDGDOEKWVBD-QFIPXVFZSA-N 492.551 3.751 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865030805 RMICDNHHKZGFLL-MGPUTAFESA-N 454.571 3.752 10 10 JHCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865032530 FHBVDXPXASYICN-FQEVSTJZSA-N 480.952 3.816 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865037828 SFYWEQZNOUECHT-JOCHJYFZSA-N 490.560 3.633 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2cc(O)c3ccc4cccnc4c3n2)c2nccn2C)cc1 1866514203 JACSDNVBQHOQMG-QHCPKHFHSA-N 452.518 3.808 10 10 JHCE CC[C@H](NC(=O)c1c(OC)cccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867367210 WVKTUUNBOSAECY-GOTSBHOMSA-N 496.652 3.622 10 10 JHCE CCOc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867529827 LLADIFMQKHWLFE-NBGIEHNGSA-N 466.626 3.613 10 10 JHCE CC[C@@](C)(NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869066013 QXCFYMSCMCQDGT-HHHXNRCGSA-N 475.593 3.641 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(NC(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2)c1 1873895557 NRCBZZLLZQYBFS-ICSRJNTNSA-N 471.561 3.818 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CC(C)C)CC2)cc1 1874642872 PAXYDHLAVJUUIH-VWLOTQADSA-N 462.594 3.599 10 10 JHCE O=C(O)CN1C(=O)C(=C2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc32)SC1=S 2294507833 BTEJBGNAOOHRKP-UHFFFAOYSA-N 462.911 3.682 10 10 JHCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCC(=O)O)C2=O)c1C 2314507212 IJXLNYOQCRDABV-UHFFFAOYSA-N 481.555 3.780 10 10 JHCE O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 1187266 QPORCHKCDQHFKS-OQLLNIDSSA-N 468.252 3.598 10 10 JHCE CC[C@@H](C)N1C(=O)/C(=C2\C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2533757 UYFSWTBCISEURS-VNRULFPQSA-N 479.627 3.762 10 10 JHCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CCc3ccccc32)cc1 9526975 GIXHQFJXHNAKOF-DEOSSOPVSA-N 479.602 3.606 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1Cl 11857782 MUOMVSVPMBTUDI-UHFFFAOYSA-N 465.940 3.912 10 10 JHCE CCN(CC)c1ccc(CN(C(=S)Nc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54430620 XIHLAOIZNIHFFP-OAQYLSRUSA-N 461.653 3.928 10 10 JHCE COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O 1084290547 VAUGCAIGODEBDH-NTUHNPAUSA-N 496.111 3.592 10 10 JHCE CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCN(c4ccc(OC)cc4)CC3)c12 1860267271 DXMVKBAXOZWIBR-UHFFFAOYSA-N 450.535 3.790 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)C(C)C)sc(C)c1-c1ccc(Cl)cc1 1860758907 MXFVMZGLDWXYGU-INIZCTEOSA-N 466.943 3.718 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Br)c3O)C(=O)NC2=S)cc1 2296773064 XPDBFCHAKZAUBU-UHFFFAOYSA-N 467.728 3.648 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NCCc1ccccc1 2297349362 FTWNTCFEFHNKPK-UHFFFAOYSA-N 454.573 3.756 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(OC)cc4)c(=O)c4ccccc34)CC2)cc1 9407222 GVRBWGANZLMRAS-UHFFFAOYSA-N 469.541 3.970 10 10 JHCE COc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c(OC)c1OC 39870370 OAUAXNKOSLSMKY-RGEXLXHISA-N 457.527 3.644 10 10 JHCE COc1ccc(N2CCCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)CC2)cc1 108580249 JDEGXOOQEJSVMA-HSZRJFAPSA-N 463.603 3.837 10 10 JHCE CC(=O)N(c1ccc(F)cc1)c1nc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cs1 917641887 CNCRMYKDEVMYMT-PDGQHHTCSA-N 492.623 3.500 10 10 JHCE CC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 1474854235 VIYZRXLXXRRKBB-ZIAGYGMSSA-N 454.951 3.774 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N(C)Cc4ccccc4)c4ccccn34)CC2)cc1 1858224227 QKXGKMADYYMPQC-UHFFFAOYSA-N 483.572 3.578 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C(C)=O)cc4)n4ccccc34)CC2)cc1 1858232364 IPGRGWJXFIPYNZ-UHFFFAOYSA-N 497.555 3.760 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3nc(O)cc(-c4ccc(Cl)cc4)n3)CC2)cc1 1858513221 BLNIGWZAWNFQSF-UHFFFAOYSA-N 470.982 3.952 10 10 JHCE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864016680 VIFFDDPVUGNSNM-NRFANRHFSA-N 483.528 3.565 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1865034836 FYBKIHHUXWVJGB-FQEVSTJZSA-N 456.587 3.856 10 10 JHCE CCCC[C@@H](NC(=O)[C@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867274624 JKNMVNFHLBPFHO-NOZRDPDXSA-N 498.583 3.773 10 10 JHCE CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868832055 SBOZXOBXUROVAG-SMIHKQSGSA-N 453.558 3.572 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CCc3csc(-c4ccccc4)n3)CC2)cc1 1868902188 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CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)O)cc1 105571461 JGBDJEYXNWULDG-BFQBXFRASA-N 486.491 3.840 10 10 JHCE O=C1c2ccccc2C(=O)c2c1cccc2N(CCN1CCCC1)S(=O)(=O)c1ccccc1 586194378 HDQIZPUZZOIHBI-UHFFFAOYSA-N 460.555 3.753 10 10 JHCE CC(=O)N1CCC[C@H](Cn2c(CC(C)C)nnc2N(C)Cc2ccc(N3CCCC3)cc2)C1 1690809552 KAEUKFSWULMVHX-QHCPKHFHSA-N 452.647 3.972 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010584 OGBHUOQUROXRHK-NRFANRHFSA-N 462.550 3.703 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864011634 JNIGSKIUQVCHIZ-LRTDBIEQSA-N 482.968 3.914 10 10 JHCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2[C@@H](C)COC[C@@H]2C)n1 1868254725 ZCVJOBBYVNOSCK-IRXDYDNUSA-N 472.545 3.798 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccco3)C2=O)cc1 1873167512 KTTYBXCMFNWHMO-UHFFFAOYSA-N 460.578 3.899 10 10 JHCE CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)C=C2NCCc3cc(OC)c(OC)cc32)c1 2296203736 AMFLCHMPGUIYBD-UHFFFAOYSA-N 489.663 3.969 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)c1 2297560298 NVKVUFBVZRVUAQ-UHFFFAOYSA-N 484.556 3.906 10 10 JHCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2)SC1=S 2314542549 WZMLSZNAJGUGIZ-MRXNPFEDSA-N 490.990 3.839 10 10 JHCE COC(=O)COc1ccc(/C=C2\C(=O)N(c3cc(Cl)ccc3[N+](=O)[O-])N=C2C)cc1OC 13914321 FZDYMVOUBFXHGW-NVNXTCNLSA-N 459.842 3.615 10 10 JHCE C[C@H](C(=O)NCCCC(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15048274 WEGIIOZPTSCFNP-ZHTGWBIJSA-N 484.599 3.836 10 10 JHCE Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c2)cc1C 33458075 JXSNWKIGHUVEIP-ZDLGFXPLSA-N 456.545 3.607 10 10 JHCE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152340 KKCNNXRLTKYQLG-OKHBPPCESA-N 457.489 3.521 10 10 JHCE CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 49073124 KYNALSARYXNPCY-GZTJUZNOSA-N 459.505 3.548 10 10 JHCE CCc1sc(NC(=O)C(=O)NC2=NCCS2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860768924 KYLINSMWBCPNHB-UHFFFAOYSA-N 496.408 3.684 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865026024 IHESHESLYXCFTQ-CMJOXMDJSA-N 492.551 3.743 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027730 JXGZQNBAQNYOSD-BXKMTCNYSA-N 488.588 3.913 10 10 JHCE CC[C@@](C)(NC(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867776764 KIHBUNVCVQXQCD-SHQCIBLASA-N 450.627 3.995 10 10 JHCE O=C(CNC(=O)[C@@H](Cc1ccccn1)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868137834 VQQUPPWLEFFMFH-DEOSSOPVSA-N 489.531 3.938 10 10 JHCE CCCN(CCC)c1cccc(C(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868602893 MFDIFQPQXYMJMT-MUUNZHRXSA-N 495.668 3.964 10 10 JHCE CCOc1cn(CCc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870363272 QVSQYOJIOXSSEO-UHFFFAOYSA-N 465.569 3.960 10 10 JHCE COCCCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870614829 DSKYTQHTCFLUFW-UHFFFAOYSA-N 495.595 3.934 10 10 JHCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2ccccc2)C1=O 1873166549 CMYAMMKDOSORNY-UHFFFAOYSA-N 484.600 3.533 10 10 JHCE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(O)c1 2313548085 LDSDCGSHJQTHKW-UHFFFAOYSA-N 472.339 3.976 10 10 JHCE COc1ccc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4cccc(C)c4)C3=O)C2=O)cc1OC 2314833264 QVKIGMFSIPHZSY-MRXNPFEDSA-N 468.556 3.546 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(F)cc3C)c3ccco3)CC2)cc1 38598290 BXMBHLKWHVFZFH-JOCHJYFZSA-N 473.570 3.578 10 10 JHCE Cc1nc(N2CCC(C)CC2)ncc1-c1ccnc(N2CCN(c3ccc4c(c3)OCO4)CC2)n1 54202125 LGXVXJKXIQWEKA-UHFFFAOYSA-N 473.581 3.534 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008076 BCEVAFGWMBTHNY-JOCHJYFZSA-N 462.550 3.757 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865030284 HIPUTDJTJGOOND-AOMKIAJQSA-N 489.576 3.727 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4ccccc4Cl)oc3C)CC2)cc1 1868646362 MXNGOWYRDZXRFB-QGZVFWFLSA-N 496.995 3.708 10 10 JHCE CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017631 TUHDUECTQJULNJ-LJAQVGFWSA-N 493.519 3.788 10 10 JHCE COCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541863 BOIXKDCOXJAIRB-IAGOWNOFSA-N 486.663 3.723 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314413635 CTLLWJMZUXFYHS-UHFFFAOYSA-N 454.552 3.975 10 10 JHCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCC(=O)O)C1=O 2314506957 HPJOJQDMJVTOBA-UHFFFAOYSA-N 481.555 3.780 10 10 JHCE COc1cc(C=C2SC(=S)N(CCCn3ccnc3)C2=O)cc(Br)c1O 2323840200 YCRJOGYBELFUAH-UHFFFAOYSA-N 454.371 3.651 10 10 JHCE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33803846 AFVPGCFBEZOZLQ-UYRXBGFRSA-N 498.605 3.992 10 10 JHCE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccc(OC)cc2)SC1=S 40066467 GCPDLWYTASHZAT-ODLFYWEKSA-N 468.604 3.890 10 10 JHCE COc1ccc(N2CCN(c3ccc(-c4ccc(C)c(S(=O)(=O)N5CCCC5)c4)nn3)CC2)cc1 65009202 DTSLSDYQCHRPGV-UHFFFAOYSA-N 493.633 3.572 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(NC(=O)N2CCOCC2)cc1 586660325 AIAUJXCYRXYEFL-UHFFFAOYSA-N 455.470 3.578 10 10 JHCE O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc12 1616175986 HEAPBEBXVKYMOG-GZTJUZNOSA-N 456.239 3.611 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCCN(C)C)sc(C)c1-c1ccc(Br)cc1 1860758480 JVGDUBRXYGYZBK-UHFFFAOYSA-N 496.427 3.669 10 10 JHCE CCC[C@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(Cl)cc2)c1C(=O)OCC)C(=O)O 1860758833 QWEBFKCIKJQHHR-AWEZNQCLSA-N 466.943 3.862 10 10 JHCE COC(=O)c1c(NC(=O)[C@H](C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(C)cc1 1866240602 SDVSHDMVVSRXAG-ZDUSSCGKSA-N 463.515 3.837 10 10 JHCE COc1ccc(N2CCN(c3cc(N(C)CCc4cnc[nH]4)nc(-c4ccccc4)n3)CC2)cc1 1869210080 RQAQXKZJCIPUMW-UHFFFAOYSA-N 469.593 3.881 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)CC2)cc1 1872717841 XQTFPGACJFKQOR-UHFFFAOYSA-N 495.601 3.532 10 10 JHCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873165889 VITUESINMNHIRG-UHFFFAOYSA-N 487.556 3.729 10 10 JHCE CCCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 1875197645 XVDRXDWFYVPQKP-UHFFFAOYSA-N 450.587 3.932 10 10 JHCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)c1C 2314509562 WFUMLSUETQIDAB-UHFFFAOYSA-N 481.555 3.698 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3ccc(F)cc3)c3ccc4c(c3)OCO4)CC2)cc1 16953865 DGCIUTMNHPAHTH-XMMPIXPASA-N 477.536 3.856 10 10 JHCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc(OC)cc1)C[C@H](c1cccc(OC)c1O)N2 65298233 ASKNPXREEQUYLS-OAQYLSRUSA-N 453.539 3.882 10 10 JHCE biogenic CCCn1c(/C(Cl)=C/c2cnn3ccccc23)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 729644141 PTOISCLSELGQIK-RGEXLXHISA-N 485.997 3.852 10 10 JHCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N[C@H](CO)Cc1ccccc1 1860344733 CALXFWVCTQHZCV-NRFANRHFSA-N 492.579 3.684 10 10 JHCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2ccc(I)o2)C(=O)NC1=S 2293218330 GMOCJLLFVSOVGS-UHFFFAOYSA-N 472.691 3.677 10 10 JHCE Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2296541855 ABYUDODOOZQURD-UHFFFAOYSA-N 494.598 3.953 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)C1=O 2314936345 XPFFCELQKCMBKK-UHFFFAOYSA-N 482.539 3.869 10 10 JHCE NC(=O)C1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)CC1 2811824 SEGJJYBSMQJBLN-KGENOOAVSA-N 475.549 3.846 10 10 JHCE O=C(O)CCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 33451841 AFZYNNUZLOAPIR-SSZFMOIBSA-N 483.596 3.912 10 10 JHCE COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C(O)=NC2=S)cc1 38188805 MSFUAERPICVQQV-SDQBBNPISA-N 478.280 3.743 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3c(C)nc(S[C@H](C)c4ccccc4)[nH]c3=O)CC2)cc1 38898908 ZNUWYZWQMANHCE-LJQANCHMSA-N 478.618 3.832 10 10 JHCE Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)cc1 96460927 LOXPNIJPMDYERO-ODXNEQJUSA-N 469.592 3.802 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)CC)sc(C)c1-c1ccc(F)cc1 1860758923 NJYVOEVERXXJHA-DIFFPNOSSA-N 464.515 3.593 10 10 JHCE CCc1sc(NC(=O)C(=O)NC(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763642 KYFFQUZKZDCHNT-UHFFFAOYSA-N 453.358 3.990 10 10 JHCE CC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861927955 CRFZMYYRADZJGB-FQEVSTJZSA-N 450.366 3.859 10 10 JHCE CCCCOc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 1862253251 UKMMNJOKEHONTA-HXUWFJFHSA-N 483.609 3.740 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008890 UPGPPZKMIXDPQC-RUZDIDTESA-N 496.567 3.970 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018789 CSCQTUXVAKUCAN-QVKFZJNVSA-N 462.550 3.514 10 10 JHCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865033316 WWDNBJZKMOEYSX-FQEVSTJZSA-N 480.952 3.816 10 10 JHCE Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1866103537 NZIODPXYSKMOBH-JOCHJYFZSA-N 455.515 3.834 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC(=O)OC 2294095702 ZFOLDBMITGZTKX-UHFFFAOYSA-N 486.908 3.574 10 10 JHCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)c1)C(=O)O 2314931173 LUMUOMAZJOYGNG-INIZCTEOSA-N 460.508 3.614 10 10 JHCE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1Cl 20208025 DTJHUXPCGNPJSY-MRDWGVERSA-N 488.978 3.849 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3cc(O)nc(SCc4ccc(F)cc4)n3)CC2)cc1 23242281 ZBYUCHDXLYYNPE-UHFFFAOYSA-N 468.554 3.514 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1OC 33436350 IMWLQJHPTRJDFJ-LTGZKZEYSA-N 486.615 3.711 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(NCCCn3ccnc3)nc12 33681133 SOUVRHWBFBWBJH-XMHGGMMESA-N 494.646 3.845 10 10 JHCE Cc1cccc(CS(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c1 62694404 OUCZFLGAQXYELG-UHFFFAOYSA-N 465.619 3.733 10 10 JHCE N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102481238 QXUHQKFWZTWFIY-WMUNWQNWSA-N 492.517 3.877 10 10 JHCE COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 104896112 FUTTZOYCVWVNTJ-FKBYEOEOSA-N 471.440 3.529 10 10 JHCE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C 109976724 VRVWNIWLZUGHNS-UHFFFAOYSA-N 488.407 3.968 10 10 JHCE CC1(C)OC[C@H](COc2ccc(C(=O)C(=O)c3ccc(OC[C@@H]4COC(C)(C)O4)cc3)cc2)O1 169445392 OAQPKRLCDNMVEF-SZPZYZBQSA-N 470.518 3.813 10 10 JHCE Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(CCc3ccc(F)cc3)C(=O)[C@H]21 253578409 YHJOOICGVLHRBO-SMIHKQSGSA-N 483.495 3.867 10 10 JHCE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1435335432 ZGNVTWIDNUVTBG-CVDCTZTESA-N 457.521 3.909 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(C(=O)OC(C)(C)C)CCCCCC3)cc2)CC1 1447715143 UZRYHJKGQGCEQM-UHFFFAOYSA-N 457.615 3.654 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@](C)(O)C(C)C)[C@H](C)C1 1508239945 UOSDDAJKMAMKGP-NFQMXDRXSA-N 478.641 3.817 10 10 JHCE COc1cc2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c(OC)c1OC 1866458472 HAZWSXHXLCSDNX-UHFFFAOYSA-N 484.464 3.582 10 10 JHCE CCN(CC)CCCN1C(=O)C(NC[C@@H]2CCCO2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166729 XLXGKIAJZNWLAO-DEOSSOPVSA-N 478.637 3.675 10 10 JHCE CCOC(=O)N1CCN(C(=O)CCCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)CC1 2296756165 FOUGYKYLEBSCJK-UHFFFAOYSA-N 482.027 3.622 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1I 2297100586 MSNQBCQHLNMINJ-UHFFFAOYSA-N 467.650 3.523 10 10 JHCE COC(=O)CN1C(=O)C(=C2SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 2313617313 BUPZJVQETJTHIX-UHFFFAOYSA-N 458.948 3.944 10 10 JHCE COc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59098835 FUTTZOYCVWVNTJ-FSSWDIPSSA-N 471.440 3.529 10 10 JHCE CC(=O)[C@@H](Cc1ccccc1)NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1638052523 RETOSSRVSFRRKD-YFQSIASUSA-N 456.564 3.734 10 10 JHCE COc1ccc(-c2nc(NS(=O)(=O)c3cc(C)ccc3OC)sc2CCC(=O)O)cc1 1858034750 FNYUCGPKPXFVCQ-UHFFFAOYSA-N 462.549 3.954 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864010279 RDQRCTIUYMDNES-QRQCRPRQSA-N 462.550 3.831 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(F)cc3)C4=O)CC2)cc1 1865766248 YVTXSMMYBLILRJ-UHFFFAOYSA-N 459.477 3.597 10 10 JHCE CCc1cccc(C)c1N1C[C@H](C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865922183 IOKXYRLMGFLDMX-QPPBQGQZSA-N 459.594 3.616 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3ccc(C)cc3O)cc1C2=O 1873875656 OIRLSDAMOZLABW-UHFFFAOYSA-N 473.437 3.579 10 10 JHCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N(CCO)Cc3ccccc3)C2=O)cc1 2296882077 IBAOSWWDOOWEHB-UHFFFAOYSA-N 454.617 3.998 10 10 JHCE O=C1N=C(N2CCN(C3=NC(=O)C(=Cc4ccccc4)S3)CC2)SC1=Cc1ccccc1 2297448224 CKLVTQYQUQHUQU-UHFFFAOYSA-N 460.584 3.945 10 10 JHCE CN(C)c1ccc(C=CCN[C@H]2C[C@@H](C(=O)NCc3cccnc3)N(C3Cc4ccccc4C3)C2)cc1 2297523841 MQURPAMBWHMLOZ-FIBWVYCGSA-N 495.671 3.677 10 10 JHCE COCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314413723 FXGVAINWSONZPU-UHFFFAOYSA-N 487.006 3.808 10 10 JHCE Cc1cccc2cc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCOCC3)nc12 2314647555 BQQSKGXTLNHYHR-SFHVURJKSA-N 455.605 3.760 10 10 JHCE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2314836284 CHCMHFWYQJNIFR-NSHDSACASA-N 457.489 3.521 10 10 JHCE O=C(O)CCN1C(=O)C(=C2C(=O)N(CCCCOc3ccccc3)c3ccccc32)SC1=S 2326944938 NKGVJRWWFTXBLV-UHFFFAOYSA-N 482.583 3.939 10 10 JHCE COc1ccc(N2CCN(c3cnn(-c4nc5ccccc5s4)c(=O)c3Cl)CC2)cc1 9561233 IHCGRRXFHWLVSW-UHFFFAOYSA-N 453.955 3.831 10 10 JHCE CC[C@H](C)N1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33474927 WCKCYKJBEWYOSI-ZIGLPXRJSA-N 474.652 3.662 10 10 JHCE COC(=O)c1ccccc1N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 39861672 SVULPNAMZCKYSY-PFONDFGASA-N 475.345 3.964 10 10 JHCE CCOC(=O)c1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 40859620 NIHKYMFNRPPXEM-YBEGLDIGSA-N 460.489 3.892 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 40940610 BRXFHFQRKXRDPN-XSFVSMFZSA-N 483.615 3.788 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)SC2=S)cc1OC 210409000 CMFCYCBSRWPCHK-UNOMPAQXSA-N 459.545 3.611 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3ccn(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1 730536700 HZPRDZOWSZKWLA-UHFFFAOYSA-N 474.392 3.740 10 10 JHCE CC(C)N(CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Cc1ccccc1 755051459 RWNNBPINOBFVQB-LPYMAVHISA-N 497.642 3.643 10 10 JHCE CC(=O)c1cc(S(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)ccc1Br 1561664153 PBHGWJSOERFUCX-AWEZNQCLSA-N 453.402 3.936 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCN(CC)CC)sc(C)c1-c1ccc(OCC)cc1 1860763016 ZFIOEWBCOGRLHM-UHFFFAOYSA-N 475.611 3.695 10 10 JHCE CCOc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862053186 YVFWBADABYHEJL-AREMUKBSSA-N 487.600 3.784 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1 1862112153 NPLXWDUJMPKRCF-QHCPKHFHSA-N 486.012 3.846 10 10 JHCE CCC[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862262913 VPGACRVPEHEWNT-RUZDIDTESA-N 467.610 3.977 10 10 JHCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007799 VILCTYCFRCYVBR-XMMPIXPASA-N 482.540 3.911 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864010928 QNHLZBUQSJXICH-JOCHJYFZSA-N 492.576 3.856 10 10 JHCE CN1CCN(Cc2ccc(NC(=O)c3c4c(n5ccccc35)C(=O)c3ccccc3C4=O)cc2)CC1 1874009847 OGLRWIUVSGBTEI-UHFFFAOYSA-N 478.552 3.714 10 10 JHCE O=C(C[C@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874016156 BQUSUJWSKZQVTQ-HXUWFJFHSA-N 487.899 3.565 10 10 JHCE CC[C@H](C)[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1nnc2ccccc2c1=O 1874179468 GBUMNPQMIFFPKR-WNSKOXEYSA-N 466.497 3.793 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(C(=O)O)c2I)c(O)c1 2079856801 WLLCIZAZQYMNDA-LBPRGKRZSA-N 482.196 3.918 10 10 JHCE COC(=O)c1c(C(F)F)nn([C@@H](C)c2ccc(OC)cc2O)c1I 2079872434 ABFZHTSFVNMUGW-ZETCQYMHSA-N 452.195 3.535 10 10 JHCE CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 2297478048 MSBVABSZGVCTRP-UHFFFAOYSA-N 488.569 3.995 10 10 JHCE Cc1ccc(OCCn2cccc2/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)c1 20356384 BKESEQRRMZGKBD-NSRJHJJVSA-N 462.579 3.856 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1nnc(-c2ccccc2)o1 40324086 SKBVTBSQALHFRY-SSZFMOIBSA-N 470.601 3.748 10 10 JHCE CCOC(=O)c1c(CN2CCCC2)n(C)c2cc(-c3cccnc3)c(O)c(Cn3ccnc3)c12 85393603 KXWVARGTNBLROA-UHFFFAOYSA-N 459.550 3.963 10 10 JHCE COCCCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(OC)cc3)C[C@H]12 97951390 BITJKOOHRNCRJC-JTHBVZDNSA-N 477.527 3.734 10 10 JHCE CCOc1cccc(N2C(=O)[C@H]3[C@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 104337350 UHNCJMHDKQCZEL-VJBWXMMDSA-N 467.477 3.780 10 10 JHCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@@H]1c1ccc(O)c(O)c1 526480360 LCVJWDNWHGNBKG-QHCPKHFHSA-N 477.469 3.959 10 10 JHCE CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 616588309 LFNIPGXHEHYFCA-UDIRQSBCSA-N 469.494 3.687 10 10 JHCE CN(C)c1cccc(NC(=O)c2cccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1 1860852114 SFXOTNONRUEVOH-UHFFFAOYSA-N 478.618 3.511 10 10 JHCE CC[C@](C)(NC(=O)CCCOc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862231663 YFDHSHSLBWDPDU-MHZLTWQESA-N 467.610 3.796 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864016842 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TYPRBGJHINBVLY-FASCHPMRSA-N 488.679 3.676 10 10 JHCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cccc(OC)c4)ncn3)CC2)cc1 65133702 TZDLOFPOOGMQSX-UHFFFAOYSA-N 465.579 3.551 10 10 JHCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N21 96460703 HTSLWCIFGMPBRG-XYTBZZNTSA-N 487.519 3.502 10 10 JHCE Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CN(Cc4ccc(O)c(O)c4)CC[C@H]2CC(=O)N3)cn1 1615936256 JTPTXVISHAMZRO-VQTJNVASSA-N 462.550 3.748 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc4c(C)c(C)c(=O)oc4c3C)CC2)cc1 1860262264 IONIXDCPMDNCBI-IBGZPJMESA-N 450.535 3.843 10 10 JHCE CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862297231 BTULBEMAUFFBST-QFIPXVFZSA-N 488.972 3.894 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019235 WYPCONVMKDUFEU-QKKBWIMNSA-N 480.540 3.653 10 10 JHCE Cc1ccc([C@H](C(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866958565 XULGFJVHMLUAEC-BJKOFHAPSA-N 484.552 3.626 10 10 JHCE CCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OCC)c1 2294095296 OONLITLEUJFETF-UHFFFAOYSA-N 459.296 3.913 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 2297352782 WDHPVDNEUOZONL-UHFFFAOYSA-N 493.545 3.960 10 10 JHCE CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccc(Br)cc23)C1=O 2313624380 RFMUPGWGJGOEIJ-UHFFFAOYSA-N 452.308 3.934 10 10 JHCE O=C(NN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1ccccc1 2314764716 KIRRGTGVLXIEPO-UHFFFAOYSA-N 481.599 3.624 10 10 JHCE Cc1cc(C(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 22669750 RINPNYSGOHSEME-FQEVSTJZSA-N 451.470 3.723 10 10 JHCE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)cc1 33411145 RPMUFUXYAVBJLO-KGENOOAVSA-N 479.514 3.577 10 10 JHCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 33509163 PKWCGNMGMZLCCG-VKAVYKQESA-N 460.625 3.843 10 10 JHCE COc1ccc(N2CCN(C(=O)CCc3csc(NC(=O)c4ccsc4)n3)CC2)cc1 585186810 CSEHVPDYDCXSBX-UHFFFAOYSA-N 456.593 3.747 10 10 JHCE CN(CCC(=O)O)C(=O)c1cccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 586699528 TZOOTCLVMOSRNS-UHFFFAOYSA-N 471.469 3.653 10 10 JHCE CC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1638052521 RETOSSRVSFRRKD-QIYXJHPLSA-N 456.564 3.734 10 10 JHCE CC(=O)N(c1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1)[C@H]1C[C@H]1C 1662054285 OADFJXMWUWHNQU-CJAUYULYSA-N 450.583 3.978 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCCCCCC(=O)O)sc(C)c1-c1ccc(F)cc1 1860758368 FITPOLGGZGVAKV-UHFFFAOYSA-N 464.515 3.739 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)Nc2nc3c(s2)CN(C)CC3)sc(C)c1-c1ccccc1 1860767485 UBPZZYZRDOWOPB-UHFFFAOYSA-N 484.603 3.922 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865033718 HBOGUTOAHNBXFY-NRFANRHFSA-N 492.576 3.850 10 10 JHCE COc1cc([C@]2(C(=O)O)C[C@@H]2NC(=O)OCC2c3ccccc3-c3ccccc32)cc(O)c1O 1952829294 JTSXSYGMYHHXKS-BKMJKUGQSA-N 461.470 3.740 10 10 JHCE COc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(CO)c2I)c(O)c1 2080054368 PGVRCZWFKZEKOK-MRXNPFEDSA-N 456.324 3.991 10 10 JHCE CCCOc1c(I)cc(C=C2SC(NC(C)=O)=NC2=O)cc1OCC 2293284975 SASFNIUMCDISOO-UHFFFAOYSA-N 474.320 3.585 10 10 JHCE CCCN1N=C(C(F)(F)F)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)C1=O 2332139641 CQDRJOSELZYBDG-UHFFFAOYSA-N 455.477 3.886 10 10 JHCE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2C)cc1 3657915 LYSLVRLJGHASTR-KAYWLYCHSA-N 485.584 3.963 10 10 JHCE CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@H](C)C(=O)NCc3ccc(N(C)C)cc3)CC2)c1C 33024245 QIPCOKAXTMEEHI-KRWDZBQOSA-N 482.625 3.679 10 10 JHCE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 33436554 CLDPEAOBULOIOD-DAQNXSASSA-N 484.647 3.619 10 10 JHCE CCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990006 YVZJZKKNIOQDAF-RGEXLXHISA-N 474.652 3.666 10 10 JHCE C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1ccc(N2CCOCC2)cc1 109180322 MWMNTOHYGPPRCN-LJQANCHMSA-N 460.578 3.841 10 10 JHCE CN1CCN(c2ccc(N3C(=O)/C(=C\c4ccc5c(c4)OCCO5)SC3=S)cc2)CC1 1860085385 HWYKIPNPPFWBKC-RCCKNPSSSA-N 453.589 3.615 10 10 JHCE 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CC[C@H](Oc1ccccc1C=C1SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O)C(=O)O 2314926270 FGEIIMVYZYDFPV-YJBOKZPZSA-N 457.529 3.956 10 10 JHCE CCN(CC)c1ccc(C2N(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 5947299 GREQVITVSDCWPK-UHFFFAOYSA-N 499.658 3.927 10 10 JHCE CC(=O)N1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 35575816 JXMBKKWPMOOWOB-NXVVXOECSA-N 497.392 3.559 10 10 JHCE CN(C)c1ccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]23)cc1 248261364 WGQWYJITAQSODV-JYEBCORGSA-N 455.599 3.590 10 10 JHCE O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 1073602549 IMTBEAHKSQDZEG-LVCYWYKZSA-N 474.966 3.886 10 10 JHCE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCSc1nccs1 1705598398 IWZZSGMBZJIVPF-UHFFFAOYSA-N 492.678 3.554 10 10 JHCE O=C(c1ccccn1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1858055165 CAFBPLSKLJQTGX-UHFFFAOYSA-N 455.923 3.894 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)cccc21 1860597965 ZWVKJFQLOCBXHU-UHFFFAOYSA-N 483.480 3.861 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008497 LKAIWRMMOYQGRF-QFIPXVFZSA-N 460.534 3.654 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864011886 MFXZSJNUKPXKTJ-QHCPKHFHSA-N 476.577 3.816 10 10 JHCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018693 AALNOCSBBDEDBZ-QFIPXVFZSA-N 476.577 3.741 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865028879 AIBMPLOMXQCHBB-OAQYLSRUSA-N 460.534 3.553 10 10 JHCE CCN(CC)c1ccc2[nH]c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(=O)c2c1 1866559488 DXXZXDWSEJTXJF-VWLOTQADSA-N 472.593 3.693 10 10 JHCE CCn1cc(OCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870599596 FPKFTJPGESIIEK-UHFFFAOYSA-N 463.578 3.657 10 10 JHCE COCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420188 IXCZDBJFFZWYKE-UHFFFAOYSA-N 460.490 3.841 10 10 JHCE CC[C@@H](NCCn1cc(I)cn1)c1cc(Br)ccc1O 2153498341 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3.684 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C(=O)O)[C@H](C)CC)sc(C)c1-c1ccc(F)cc1 1860758925 NJYVOEVERXXJHA-PIGZYNQJSA-N 464.515 3.593 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864016480 PWOKDRIVTDNTKB-FQEVSTJZSA-N 488.569 3.613 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864017562 PAIPMOGAHDRELU-JOCHJYFZSA-N 492.576 3.856 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022863 ZGKATUINRJFWBD-OAQYLSRUSA-N 462.550 3.586 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969600 RGTURKFKKXPZSE-UHFFFAOYSA-N 489.967 3.903 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCc4ccc(C)cc4)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871599294 HTJVRODDBXTBEQ-UHFFFAOYSA-N 495.631 3.757 10 10 JHCE CCOc1cc(C=C2C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)ccc1O 2294061076 CVTWAQIJVCIWJM-UHFFFAOYSA-N 467.518 3.723 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)N3CCCCCC3)C2=O)cc(OC)c1OC 2296881572 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CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)c1)C(=O)O 2314931398 NRGDLDKVXAGDLZ-QGZVFWFLSA-N 456.545 3.783 10 10 JHCE COc1ccc(OCCN2C(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1 2323719306 GSLDPKVZDQAEDO-UHFFFAOYSA-N 462.505 3.598 10 10 JHCE CCc1ccc(C(C)=CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 2329522979 OXUWWFBZENWVER-DEOSSOPVSA-N 482.536 3.544 10 10 JHCE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 33475312 SUXCVKMKCSTZSD-ZCEMTOSDSA-N 486.663 3.806 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 62694376 NUKVHRSFQIYMMO-UHFFFAOYSA-N 495.645 3.909 10 10 JHCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1 102471221 XYXFZSYUVTXECV-VIZOYTHASA-N 481.804 3.903 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 210691717 ZVVDLACVGZYSAA-LDADJPATSA-N 458.561 3.948 10 10 JHCE Cc1c(NS(=O)(=O)c2ccc(N=NN3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C 254399339 UUPMLYPNOYPCTE-UHFFFAOYSA-N 454.556 3.770 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc(C(=O)O)cc2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2C 1859570416 JCTLRDJMTKPXTM-UHFFFAOYSA-N 471.560 3.872 10 10 JHCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865027484 IANDDVBNFBDLGD-NRFANRHFSA-N 480.952 3.952 10 10 JHCE CN1CCc2cc(CNC3CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C3)ccc21 2271985673 JKKVUIZEWMOXLD-UHFFFAOYSA-N 460.619 3.625 10 10 JHCE CCOc1cc(C=C2SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)ccc1O 2321683444 RNSMCCQORTVCMX-UHFFFAOYSA-N 455.605 3.949 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C=Cc3ccccc3Cl)CC2)cc1 2330459036 CGPRXDKRWSVVTI-QHCPKHFHSA-N 488.053 3.949 10 10 JHCE COCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 9642222 HSCSVHYIMBOAEJ-UHFFFAOYSA-N 472.501 3.653 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C3CCNCC3)CC2)cc1 15722082 XLLAGTKEKNFWJQ-UHFFFAOYSA-N 480.012 3.964 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(I)c1OC 33321614 PTEBQHUEKPGISI-QPEQYQDCSA-N 496.232 3.954 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)N1CCN(c2ccccc2)CC1 33436579 IUFBKYGANRPARU-CJLVFECKSA-N 495.626 3.746 10 10 JHCE Cc1cccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c1 62694391 ZHDJOBVPPGEMNH-UHFFFAOYSA-N 451.592 3.592 10 10 JHCE Cc1ccc(-c2cc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)c3cnn(C(C)C)c3n2)s1 106187103 XQFJEJCKRKKLII-UHFFFAOYSA-N 488.617 3.915 10 10 JHCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)c1cc(I)cc(I)c1O 701303459 PBXAWQZTGRISAR-MRVPVSSYSA-N 498.062 3.516 10 10 JHCE COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(OC)c1 1084583868 MAGJLUMPWQIYID-BOPFTXTBSA-N 479.470 3.703 10 10 JHCE CC[C@@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868633221 PSXOLPPFUGNRPA-XMMPIXPASA-N 490.604 3.753 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCc3ccc(Cl)cc3)cc1C2=O 1873901892 HMZMUMGZZXHOLP-UHFFFAOYSA-N 491.883 3.896 10 10 JHCE CNc1ccc2c(O)c(N=Nc3ccc(OC)cc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1 1933268223 QGFCDQHZQAEFLA-UHFFFAOYSA-N 467.481 3.505 10 10 JHCE COc1cc([C@H](OC)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1952535069 MBZXEONNYSVOPC-UPVQGACJSA-N 479.485 3.786 10 10 JHCE COC(=O)c1c(C2CC2)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2080005875 IXPUECOXQGRCQB-KRWDZBQOSA-N 468.291 3.865 10 10 JHCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNNc1nc(O)c2cc(Br)ccc2n1 2297559100 NCAPAIWMDIYSBS-UHFFFAOYSA-N 473.718 3.974 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2313547770 BOJVKRZNEXPKBV-UHFFFAOYSA-N 454.870 3.905 10 10 JHCE COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2313558999 OUEDJWAMPYVAKP-UHFFFAOYSA-N 494.504 3.981 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1C(=O)O 16922542 LMXAYDROQDJFBY-CHHVJCJISA-N 480.470 3.532 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S 33511152 PAKLFDBURVOFGE-HMMYKYKNSA-N 494.642 3.895 10 10 JHCE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 59858368 SFJJZSXGQLEGOP-WQRHYEAKSA-N 480.868 3.630 10 10 JHCE COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1O 1083984071 YHWYTSUXFMHYOE-AWNIVKPZSA-N 496.111 3.592 10 10 JHCE CC(=O)c1cc(F)cc(CN2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1O 1658288106 NRQVLGAZFIMPDE-UHFFFAOYSA-N 455.313 3.764 10 10 JHCE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4cccs4)c(CC(=O)O)s3)ccc21 1858003950 CZEZKBRMPQXXIT-UHFFFAOYSA-N 477.589 3.599 10 10 JHCE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 1858592048 HCBWDCIEEJAXTN-WNLSXJKCSA-N 464.908 3.851 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1862296977 WCQJTXGJHSXKNJ-QHCPKHFHSA-N 455.624 3.512 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008572 NFNRPADFAHJWEI-FKIZINRSSA-N 468.941 3.855 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018727 BEPISTMCLIGAQX-QFIPXVFZSA-N 474.561 3.658 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864022680 PTWKWWINMDDHOQ-JOCHJYFZSA-N 498.539 3.790 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 1868650555 PDRBVEBXVWEVFE-KRWDZBQOSA-N 496.995 3.708 10 10 JHCE CCc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2-c2ccccc2)cc1 1869970302 HXHMFMFVLHZDAL-UHFFFAOYSA-N 482.588 3.839 10 10 JHCE COCCN1C(=O)C(NCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169170 CKEABISECWBCFU-UHFFFAOYSA-N 483.572 3.529 10 10 JHCE COc1ccc(OC)c2c1c(=O)c(C(=O)Nc1cccc3c1C(=O)c1ccccc1C3=O)cn2C 1874179385 BFMPOHHAGLBGFP-UHFFFAOYSA-N 468.465 3.583 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Br)cc1 2297314400 NYBHAZOVDUAXTI-UHFFFAOYSA-N 450.086 3.878 10 10 JHCE COc1ccc(C=C2SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c(OC)c1OC 2314557556 OAUAXNKOSLSMKY-UHFFFAOYSA-N 457.527 3.644 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 35518324 POVPLENGCNILIV-RGEXLXHISA-N 486.575 3.963 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1)C(=O)c1cccc(F)c1 35960325 NUXAVJRDEWZCMW-VWLOTQADSA-N 476.552 3.939 10 10 JHCE O=C(Nc1cccc(C(=O)N2CCCNCC2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586718498 WBUWMPMPYYYQJT-UHFFFAOYSA-N 468.513 3.542 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)c(CCC(=O)O)s2)cc1OC 1858070244 KEXBBIGLOBRJEH-UHFFFAOYSA-N 454.551 3.707 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N[C@H](CO)c4ccccc4)c4ccccc34)[C@@H]21 1860347583 ZIUZBDXIJVSHCZ-QDPGVEIFSA-N 480.568 3.638 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864014001 LDHYMQHGCWGHAS-OAQYLSRUSA-N 496.995 3.974 10 10 JHCE CCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864023291 XLZAOJLOBMWXIO-OAQYLSRUSA-N 492.576 3.898 10 10 JHCE COc1cc(Cl)c(C)c2c(=O)c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c12 1866470936 ARIXFBNFLIVXDD-NRFANRHFSA-N 479.968 3.817 10 10 JHCE CCC[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866702558 LDNYQHNEFYVKCV-ZCYQVOJMSA-N 483.568 3.988 10 10 JHCE COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(CN)c2I)c(O)c1 2079880987 RKBDHJDEPYYROZ-CQSZACIVSA-N 451.255 3.844 10 10 JHCE N=C1C(=Cc2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352690 MGYNYGOQSKCFNJ-UHFFFAOYSA-N 463.494 3.717 10 10 JHCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297499574 NJUGGSLOIGWCOJ-UHFFFAOYSA-N 474.458 3.926 10 10 JHCE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CC(=O)O)C2=O)ccc1Cl 2314507707 KZUVDUMSNKRHTN-UHFFFAOYSA-N 487.946 3.734 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(C(C)=O)cc4)n3)CC2)cc1 33309926 ULPGREQWCARCIE-UHFFFAOYSA-N 477.590 3.745 10 10 JHCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(CC)CC2)SC1=S 33812544 OZBDKMJRCZXIQH-HKWRFOASSA-N 487.695 3.582 10 10 JHCE Cc1ccc2nc(NCc3ccco3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 33933428 MZTUTIVENVQEPT-HKJBKDEOSA-N 482.587 3.588 10 10 JHCE CCCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990422 BMCAKHOXVPXYAU-SMEDBKPVSA-N 488.679 3.912 10 10 JHCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(SCc4ccco4)o3)C(=N)N21 96475790 DJKFKFWZMFYFGJ-ZKSCCFDSSA-N 478.577 3.812 10 10 JHCE CC(=O)c1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)c(C)nc1C 1465325197 OQQTURUGFFASMN-QFIPXVFZSA-N 454.571 3.963 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3ccccc3F)n2CCCSc2nccs2)CC1 1508213073 GUBSPIFPJAAKKJ-UHFFFAOYSA-N 460.604 3.782 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CCCSc2nccs2)[C@@H](C)C1 1760609553 PTVREHURTWWVOC-KRWDZBQOSA-N 456.641 3.949 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)cc4C)cn3)CC2)cc1 1858429681 WBZDRZZPBRSLJX-UHFFFAOYSA-N 452.580 3.834 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1ncccc1OCC(=O)N1CCCC1 1858836802 ACRNQLFVPALJIF-UHFFFAOYSA-N 470.485 3.502 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccc(C)c3)CC2)cc1 1862284728 JQXCHOKBJBPTCC-AREMUKBSSA-N 457.574 3.694 10 10 JHCE CCC[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867150107 VDYFSENATBDUHX-LJQANCHMSA-N 456.502 3.600 10 10 JHCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC1CCC2(CC1)OCCO2 1873935380 OBHRPNQLMRTMIW-UHFFFAOYSA-N 498.583 3.766 10 10 JHCE CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2040498527 LYJXUDODQQQSMN-UHFFFAOYSA-N 480.571 3.565 10 10 JHCE Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O 2313547737 ASEOSIHPPPEZEP-UHFFFAOYSA-N 462.937 3.906 10 10 JHCE COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 2313559513 ZJIKIMPHTHJYHH-UHFFFAOYSA-N 477.517 3.851 10 10 JHCE CC[C@@H](Oc1ccccc1C=C1SC(=S)N(c2cc(C(=O)O)cc(C(=O)O)c2)C1=O)C(=O)O 2314926448 JKVSGKXHTWUWEF-OAHLLOKOSA-N 487.511 3.731 10 10 JHCE CCCN1CCCc2cc(CN3CCC4(CC3)C(=O)N(Cc3cccnc3)C(=O)N4C)ccc21 14748124 FCMYXQKZLNHMNT-UHFFFAOYSA-N 461.610 3.673 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OCc1ccccc1 20356627 LTXLFCZPQBJLBL-SVKNRIHUSA-N 491.573 3.573 10 10 JHCE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 33812731 HLJKXEUCLMWXTC-QNGOZBTKSA-N 499.706 3.724 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 34138264 BPJGKTITDIKVDQ-SDQBBNPISA-N 462.212 3.578 10 10 JHCE CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 40939083 SKGCZHAFIKJZRP-XDJHFCHBSA-N 478.636 3.868 10 10 JHCE Cc1ccc(OCC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1 62694659 QRGNHWZZHRKGRD-UHFFFAOYSA-N 463.553 3.948 10 10 JHCE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 728748107 UHWRWURLQCDZKH-NFBKMPQASA-N 475.637 3.514 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)CN(C)C)CC1 1301693219 UREUVYGXYCCURL-UHFFFAOYSA-N 491.684 3.999 10 10 JHCE CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CCCSc2nccs2)[C@@H](C)C1 1359395958 MRGFUSJQGWYJKL-SFHVURJKSA-N 486.667 3.861 10 10 JHCE CC(=O)c1cc(F)cc(CN2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)c1O 1473632963 ILKROYSOFQDEIN-HKUYNNGSSA-N 456.411 3.910 10 10 JHCE CNc1cc(C(=O)O)c(Nc2ccccc2)c(F)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1857996742 CXLJSYQFLWDRCE-UHFFFAOYSA-N 476.464 3.934 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(O)cc(-c5cccc(F)c5)n4)CC3)CC2)cc1 1858553515 DLICJJDVLYMRTH-UHFFFAOYSA-N 491.567 3.562 10 10 JHCE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)NNc1nc(-c2ccc(C)cc2)cs1 1860405635 OEFOJPPPZDFELK-UHFFFAOYSA-N 458.565 3.559 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986868 VLPUOHXUDPQOJP-HXUWFJFHSA-N 477.584 3.827 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868746050 BPXQHGLHANAZIJ-CMYGGHSTSA-N 499.611 3.880 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 1868901874 FVGFEESWOFUCDQ-FCEKVYKBSA-N 499.611 3.581 10 10 JHCE CC(C)(C)OC(=O)N1CC[C@](COCc2ccccc2)(C(=O)NCCc2ccc(O)c(O)c2)C1 2180814539 WVZNWGJOIVENMJ-SANMLTNESA-N 470.566 3.601 10 10 JHCE CC(=O)N1C(=O)C(=C2SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 2294850978 JXMBKKWPMOOWOB-UHFFFAOYSA-N 497.392 3.559 10 10 JHCE COCCCN1C(=O)C(=Cc2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S 2296727127 UVBVMFQXYVFNNR-UHFFFAOYSA-N 466.588 3.544 10 10 JHCE CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=S)NC3=O)cc2Cl)cc1 2297361678 DYYGQVWUERMPSV-UHFFFAOYSA-N 468.965 3.555 10 10 JHCE COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 1129162 YRZZKOZJIPHKIV-ODGFMFMFSA-N 459.480 3.609 10 10 JHCE O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2c3ccccc3nc3ccccc23)CC1 22118031 GMEQICYQIWRCTA-UHFFFAOYSA-N 461.543 3.670 10 10 JHCE COc1ccc(N2CCN(c3ncnc(Nc4cc(Cl)c(OC)cc4OC)c3N)CC2)cc1 40727895 WEFIEDUQNOURBW-UHFFFAOYSA-N 470.961 3.808 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(F)cc4F)n4ccccc34)CC2)cc1 1858239538 NSQBSJGAQSQTKG-UHFFFAOYSA-N 491.498 3.836 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)NCCCCCC(=O)O)sc(C)c1-c1ccc(C)c(C)c1 1860760658 BSUUNCGYMAMIJO-UHFFFAOYSA-N 460.552 3.827 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018577 OGLJWRPRWLJJRU-QHCPKHFHSA-N 497.555 3.560 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864022520 NSTYEDRVMSGDSV-HNNXBMFYSA-N 494.495 3.796 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3ccccc3F)c3ccccc3)CC2)cc1 1868600384 VLFVDINKVOWQSU-HHHXNRCGSA-N 475.564 3.973 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](C)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869281651 LBRRTULSKIZXTM-LJQANCHMSA-N 463.557 3.843 10 10 JHCE CCn1c(C(=O)NCCc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873569599 LZVJXVQQAHXXFE-UHFFFAOYSA-N 484.604 3.759 10 10 JHCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1NC(=O)N1CCOCC1 1874179101 NOCFQQDDDMROAC-UHFFFAOYSA-N 455.470 3.578 10 10 JHCE Cc1cc(O)c([C@@H](C)n2nc(C(F)(F)F)c(C(N)=O)c2I)cc1C 2080030511 NTUREUIUUHIYCV-MRVPVSSYSA-N 453.202 3.537 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1Cc1ccccc1 2297346052 YZTHOFDZZJMNTK-UHFFFAOYSA-N 469.592 3.553 10 10 JHCE CCCOc1ccc(C=C2SC(=S)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OC 2323686494 GEPXOAHXMFYJQE-UHFFFAOYSA-N 478.617 3.533 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)c1 3659410 FNUSKKPRHUFLQX-IWIPYMOSSA-N 471.561 4.000 10 10 JHCE Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c(Br)c1O 6142934 ZLORAUIXGLCEOO-UHFFFAOYSA-N 466.107 3.935 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c1 8435405 STVIEFBPOGTTIU-OEAKJJBVSA-N 494.507 3.678 10 10 JHCE COC(=O)CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccc(N(C)C)cc1 32977712 GTIKBSXWAOOZKB-SANMLTNESA-N 498.587 3.825 10 10 JHCE Cc1cc(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)c(C)n1-c1ccccc1F 105636503 SDHMUDMDMWQPSJ-UHFFFAOYSA-N 457.571 3.991 10 10 JHCE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/C=C\c4ccccc4)SC3=S)C2=O)cc1 229680713 OFTPMALALOFSGC-BOHICHLWSA-N 492.578 3.953 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)c2)CC1 1269318276 JTEZJYLIQXNINV-UHFFFAOYSA-N 459.428 3.676 10 10 JHCE CCN(CC)CCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)OC 1860761177 PBWJRJCRRPPCCC-UHFFFAOYSA-N 459.612 3.995 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012700 HBGYPYAIKKZVHP-HSZRJFAPSA-N 497.555 3.642 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019016 UHUXBVYMDVIOJK-JOCHJYFZSA-N 492.551 3.798 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864022485 XVOAGYYHXCOXQS-QFIPXVFZSA-N 492.576 3.532 10 10 JHCE CC[C@](C)(NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868807409 WANAOYCXCGEUTD-MHZLTWQESA-N 476.577 3.526 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3snc4ccccc34)CC2)cc1 1869052055 OJYJJTQMQXDNRM-OAQYLSRUSA-N 484.647 3.505 10 10 JHCE CCCCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870442909 VWCFJWMVDXXZBF-UHFFFAOYSA-N 485.625 3.700 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)[nH]c(=Nc4ccccc4)[nH]3)CC2)cc1 1871599384 LLBNMWQCQRAFDT-UHFFFAOYSA-N 481.604 3.715 10 10 JHCE CCN(CC)CCN1C(=O)C(NCc2ccco2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164041 JGGHAXKIBCXDGK-UHFFFAOYSA-N 460.578 3.899 10 10 JHCE CCCCn1c(N)c(N(Cc2ccco2)C(=O)C=Cc2cc(C)n(CCC)c2C)c(O)nc1=O 2040464269 HJQJDTHLZJDGII-UHFFFAOYSA-N 467.570 3.999 10 10 JHCE C[C@@H](C(=O)O)N1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2293308693 ZDMYNNPYCMANND-NSHDSACASA-N 458.948 3.931 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1cccc(F)c1 2297345555 HDHSPHUZRAMFON-UHFFFAOYSA-N 487.582 3.881 10 10 JHCE O=C1C(=Cc2ccc(-c3ccccc3Br)o2)SC(=S)N1CCS(=O)(=O)O 2297576250 QQDOBKMTVGDMOI-UHFFFAOYSA-N 474.379 3.798 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c(C(=O)O)c1OC 16906191 BJEBFMGMLZMHAS-MHWRWJLKSA-N 458.517 3.766 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)cc1C(=O)O 16922639 WDADHQPZMLOZPF-SXGWCWSVSA-N 494.497 3.922 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=N)N21 20206795 RVFLANOOKJPUBC-ATKCCKKESA-N 475.983 3.759 10 10 JHCE Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 33718727 OCQHFPCJVVGIIH-JWGURIENSA-N 459.458 3.822 10 10 JHCE CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)cc1 64862356 UFKCCNUIUQAOON-UHFFFAOYSA-N 456.612 3.636 10 10 JHCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C(=N)N21 96460767 MMLCMILVWZZHGF-YFGLPBLDSA-N 496.570 3.553 10 10 JHCE C[C@@H](O)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 102848325 RPWGAUKTVTUSFG-VGSSETLESA-N 487.006 3.542 10 10 JHCE O=C(CN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1cccc(C(F)(F)F)c1 210673575 SPUDZXNNZNDGSR-GIDUJCDVSA-N 454.451 3.957 10 10 JHCE CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]32)cc1 226379388 YELSCWIASXMNBH-SMIHKQSGSA-N 495.487 3.673 10 10 JHCE O=C(O)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1Cl 586225828 LFAPPVMZSCKNSQ-UHFFFAOYSA-N 469.902 3.785 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3cc(F)c(N4CCCC4)c(F)c3)CC2)cc1 743298669 CPSPVPMFQVJVLN-UHFFFAOYSA-N 459.541 3.517 10 10 JHCE CC[C@@](C)(NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862182063 NUUPNVRIQSHCBA-AREMUKBSSA-N 488.028 3.978 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)CCCOc3ccc(C)cc3)CC2)cc1 1862215846 SVUQNGFJTLTYNP-RUZDIDTESA-N 465.594 3.502 10 10 JHCE COc1ccc(Cl)cc1C(=O)N[C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867602365 SOIUIXYGEYRCPT-MBSDFSHPSA-N 487.044 3.876 10 10 JHCE CC[C@H](NC(=O)[C@@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854057 VUBRKXMCHRQYLN-BJKOFHAPSA-N 455.574 3.818 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCCCCO)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871523492 QTBZPRXOLGQSSN-UHFFFAOYSA-N 498.031 3.600 10 10 JHCE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)cc1 2294253394 MDNSMJLEPUEFRJ-UHFFFAOYSA-N 450.447 3.704 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 2313557461 DDODMASGWOHUMC-UHFFFAOYSA-N 491.431 3.988 10 10 JHCE CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 27499351 UKSUCYKOTIHRMR-AQTBWJFISA-N 456.549 3.987 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N[C@H](C)c4ccccc4)n4ccccc34)CC2)cc1 1858223760 DOFAKVYACSXWKE-HXUWFJFHSA-N 483.572 3.796 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016138 IDQCZDRYVPFTSZ-NRFANRHFSA-N 468.513 3.509 10 10 JHCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC(C)C)[C@H]2c1ccc(O)c(O)c1 1864017016 CLCDZHUEECWODO-FQEVSTJZSA-N 478.549 3.599 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(N5CCCC5)ncnc4n3CC(C)C)CC2)cc1 1873551004 WHQWQBZBZCLFQZ-UHFFFAOYSA-N 462.598 3.659 10 10 JHCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(C)(C)C)c(C(N)=O)c1I 2080053111 GHMQDOYCWKIGKZ-LBPRGKRZSA-N 457.312 3.598 10 10 JHCE COc1c(Br)cc(Br)cc1C=C1SC(=S)N(CC(=O)O)C1=O 2297303341 PSDNHRCSAGMHME-UHFFFAOYSA-N 467.160 3.506 10 10 JHCE CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Br)OCO4)C2=O)cc1 2297329290 GZNXVPJIYWBSJV-UHFFFAOYSA-N 457.280 3.968 10 10 JHCE O=C(NC=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 2297534298 GHECATGXKYZBEL-UHFFFAOYSA-N 479.836 3.690 10 10 JHCE CCOc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1 2314650448 HLFGTNJGIXHIEU-OAHLLOKOSA-N 461.517 3.865 10 10 JHCE C[C@H](NC(=O)CCCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 2314831913 VPKLWMXYSUJITP-INIZCTEOSA-N 484.599 3.836 10 10 JHCE Nc1ccc(CCS(=O)(=O)c2cc(I)ccc2Br)cc1 2363736470 WVFURXKZNNZBAN-UHFFFAOYSA-N 466.138 3.652 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H](O)COc2ccccc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 256037979 JZDOEHGNVKAXEF-FCHUYYIVSA-N 481.058 3.615 10 10 JHCE N[C@@H](c1cccs1)c1cc(I)cc(I)c1O 396458241 KYTNSMSAQPPCEH-SNVBAGLBSA-N 457.074 3.711 10 10 JHCE Cc1cc(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)c(C)n1-c1ccccc1Br 729362823 FKBSBHGGYOIWBJ-UHFFFAOYSA-N 483.366 3.555 10 10 JHCE COc1ccc(-c2nc(=Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C(=O)O)c[nH]2)cc1 1859832779 LZJSIVDRNKCRLP-UHFFFAOYSA-N 451.438 3.791 10 10 JHCE CC[C@](C)(NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862042249 GRPNLDDCKLXVDW-QHCPKHFHSA-N 474.399 3.705 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864020300 AGBIEKRAXGHABJ-JNAXZKDPSA-N 454.571 3.656 10 10 JHCE CCc1sc(NC(=O)[C@H]2CCC(=O)N2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866196597 DAZHKPZYYXGCCE-GFCCVEGCSA-N 451.342 3.744 10 10 JHCE CC/C(=C\C(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868665201 RTCDCZDVGSILRP-FMQUCBEESA-N 465.594 3.741 10 10 JHCE COc1ccccc1-c1nn(Cc2ccccc2)cc1C=CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 2040464600 UGIUUILCPWDSCU-AREMUKBSSA-N 494.551 3.900 10 10 JHCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352597 FCJUPJFERIGGRH-UHFFFAOYSA-N 459.531 3.968 10 10 JHCE COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)cc1OC 33321694 DUEPCOQIIJCNKS-WQRHYEAKSA-N 452.463 3.877 10 10 JHCE COc1ccc(CO[C@@H]2[C@H](COC(C)=O)O[C@H](OC(C)=O)[C@H](N=[N+]=[N-])[C@H]2OCc2ccccc2)cc1 1083816753 NOLUREWJMGQUDD-ZLFMQQKDSA-N 499.520 3.696 10 10 JHCE COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)c1 1083991890 YSZZVPXGZOUMCJ-JCMHNJIXSA-N 457.486 3.889 10 10 JHCE O=C(O)CCc1sc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)nc1-c1cccs1 1858070216 IANYRIPUWQAXIS-UHFFFAOYSA-N 477.589 3.816 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864008225 GFGXRRBAYUOOOI-QRQCRPRQSA-N 462.550 3.569 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864023508 ZSGWPXPEHCMRIA-FQEVSTJZSA-N 478.549 3.508 10 10 JHCE COc1ccc(Cl)c2c(=O)c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c12 1866449833 AEDLJLKQHZOUQZ-FQEVSTJZSA-N 465.941 3.509 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](C)Cc3ccc(F)cc3)C(C)C)CC2)cc1 1868768255 WPJUECPHLWPPDV-NTKDMRAZSA-N 455.574 3.503 10 10 JHCE CCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868989583 RJRAABLRCZUKKJ-QHCPKHFHSA-N 493.583 3.576 10 10 JHCE COc1ccc(Nc2nc(=NCCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561933 LBXOTRPSXPFPNZ-UHFFFAOYSA-N 477.613 3.839 10 10 JHCE CCCCCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169818 XJLDVXVZKHQVMV-UHFFFAOYSA-N 478.637 3.676 10 10 JHCE COC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2079874937 MEFWCIUOWWPUCF-CQSZACIVSA-N 478.233 3.926 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(OC)cc1OC 2313682886 MZHQVLDHMRTDBK-UHFFFAOYSA-N 466.519 3.965 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)C=Cc3ccc(Cl)cc3)CC2)cc1 2328567214 JWTDXICLWNDMMF-QHCPKHFHSA-N 453.970 3.702 10 10 JHCE O=S(=O)(O)c1ccc2c(N=Nc3n[nH]c4cc(Cl)ccc34)c(O)c(S(=O)(=O)O)cc2c1 2333166272 VZXDTBRHUUMLAE-UHFFFAOYSA-N 482.883 3.984 10 10 JHCE CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C1=O 2289409 DBICKLZRRDBMRH-RCCKNPSSSA-N 489.528 3.534 10 10 JHCE CCOCCCN1C(=O)/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 33780914 YJNWVQUPOKRFTG-LVZFUZTISA-N 494.642 3.977 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3cccc([N+](=O)[O-])c3C)c3ccco3)CC2)cc1 38598172 DUGMQPYUXFMNKT-HSZRJFAPSA-N 464.522 3.798 10 10 JHCE COc1cc(Br)c(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1OC 103365406 FMUDBJNVMTUWJB-AWNIVKPZSA-N 451.704 3.890 10 10 JHCE Cc1ccc([C@H](CNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)N2CCOCC2)o1 106009150 OTASXBQIANNSPW-QFIPXVFZSA-N 465.550 3.570 10 10 JHCE CCCCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)N[C@](CC3CCCCC3)(C(=O)O)[C@@H]2C1=O 248060150 PTOAMDDKGJZDIY-YGWSKSRPSA-N 455.599 3.592 10 10 JHCE CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CCCSc2nccs2)[C@H](C)C1 1301758594 JTJYCNNVYLJBRI-GOSISDBHSA-N 486.667 3.861 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCSc2nccs2)[C@H](C)C1 1359387030 UQKGQQCXNFXYHJ-CQSZACIVSA-N 478.047 3.689 10 10 JHCE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864016848 YPCTYQQDHNVIAP-JOCHJYFZSA-N 497.555 3.812 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030670 OKEMOBWDIJDFTD-OPAMFIHVSA-N 489.576 3.584 10 10 JHCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 2053511325 OUMQFDZHKRFVJP-KRWDZBQOSA-N 492.626 3.802 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc([N+](=O)[O-])cc3Cl)C2=O)cc1 2297346698 UCRMWGOVOOMQDW-UHFFFAOYSA-N 466.837 3.714 10 10 JHCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 2314836781 JZEYFCYWDFISAP-NSHDSACASA-N 459.505 3.537 10 10 JHCE O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 2254841 PBNHKXOFFMEOMP-BUHFOSPRSA-N 461.318 3.875 10 10 JHCE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(OC)cc4)SC3=S)C2=O)cc1 15051200 CMCNCOWRFPVGBQ-GEBKJHSDSA-N 468.556 3.627 10 10 JHCE CCCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2C)c2ccccc21 33431657 STKYGVMHYJUGQH-NTCAYCPXSA-N 471.298 3.835 10 10 JHCE CCOc1ccc(Nc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2[N+](=O)[O-])cc1 40611204 YYIYNODWOTYUOG-UHFFFAOYSA-N 450.499 3.862 10 10 JHCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 100277025 HGDIUWIZWDMIBT-NBVRZTHBSA-N 452.463 3.527 10 10 JHCE CCCCCN1C(=O)/C(=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc21 206206652 QSKRYNKRXIAXQP-ISLYRVAYSA-N 452.561 3.535 10 10 JHCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@@H]32)cc1OC 226887500 LWONUWQYAKTPJI-UJAPCULTSA-N 470.591 3.988 10 10 JHCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 504472526 ZILJQYFVSJHHBV-LUFNOOMBSA-N 454.482 3.850 10 10 JHCE biogenic NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccccc3C(F)(F)F)SC2=S)cc1 1858591047 VKAGKNWYMQHXQP-LFIBNONCSA-N 472.535 3.797 10 10 JHCE Cc1nc(CC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)co1 1867227279 OICKMGYQGKOYQQ-XMMPIXPASA-N 493.519 3.667 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868838706 IUEODBUBBRGVAO-XMMPIXPASA-N 451.611 3.987 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868930137 XMIOWDSNVQCNSE-UHFFFAOYSA-N 478.637 3.723 10 10 JHCE CC(=O)NCCN1C(=O)C(Nc2cc(F)ccc2F)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422166 JNMACCQELZDJBH-UHFFFAOYSA-N 478.499 3.700 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C3(C)CC3)c(CN)c2I)c(O)c1 2080051883 FUDOYICUXUAILE-INIZCTEOSA-N 453.324 3.712 10 10 JHCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 2293497309 TWZVFHIQHPMEBF-UHFFFAOYSA-N 486.571 3.615 10 10 JHCE O=C1C(=Cc2ccc(Br)cc2)SC(=S)N1NS(=O)(=O)c1ccccc1 2297259290 DMGRPZIUVKNGBN-UHFFFAOYSA-N 455.380 3.544 10 10 JHCE Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccccc34)C(=O)NC2=S)c1 2297351302 CRJLOYMPGJWXJU-UHFFFAOYSA-N 498.564 3.690 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1 2313548718 CTKVYVWYYYIQRT-UHFFFAOYSA-N 459.296 3.518 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)C=Cc4ccco4)CC3)ccc21 2322083174 ALRPEYDDJVBBRD-UHFFFAOYSA-N 454.482 3.946 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 15039960 YUJQSAVPAPUTIL-PDGQHHTCSA-N 472.544 3.719 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCc3ccccc3)C2=O)cc1OC 33417546 DAEAYESMEHUSDJ-HMMYKYKNSA-N 456.589 3.654 10 10 JHCE O=C(CN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 47152160 KCFSDICSFHAHKO-NVNXTCNLSA-N 494.348 3.903 10 10 JHCE COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1 1083957800 GFICEPRDULFWAR-CJLVFECKSA-N 456.498 3.979 10 10 JHCE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(N2CCCC2)cc1 1705684983 JFKAIAJRNNHLOW-UHFFFAOYSA-N 454.376 3.880 10 10 JHCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 1858594143 MURROSFJOHMDRQ-LNKKFFRNSA-N 498.626 3.831 10 10 JHCE COc1ccc([C@@H](C(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868880951 NDTOGFVZQMMVRA-IBVKSMDESA-N 479.621 3.831 10 10 JHCE C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1881305892 KFTUADKJGNHHGO-NSYGIPOTSA-N 460.619 3.801 10 10 JHCE CCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2053498547 ZQEYCSIIOIFCQG-UHFFFAOYSA-N 496.614 3.587 10 10 JHCE Cc1cc(O)c([C@H](C2CC2)n2nc(C(F)F)c(C(N)=O)c2I)cc1C 2080052930 FEWNMEZNDUAANX-AWEZNQCLSA-N 461.250 3.846 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cn4)c3C)C(=O)NC2=S)c(OC)c1 2294265325 TVJHGTHPELEPOW-UHFFFAOYSA-N 476.558 3.646 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2296608904 FIXFIOUEUGFGEF-UHFFFAOYSA-N 463.490 3.793 10 10 JHCE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c1 2314817635 BEVDOSLYXCCUPQ-UHFFFAOYSA-N 468.535 3.754 10 10 JHCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc2c3c(c1)CCCN3CCC2 2328151 OTUPGPFBNCLHOZ-CPNJWEJPSA-N 482.403 3.979 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3C(=O)O)SC2=S)cc1 16906204 SSYBCNRMSYMUED-SFQUDFHCSA-N 459.545 3.855 10 10 JHCE CC(C)c1ccc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 33480600 NCYAFPVCQYIYEI-AUSIDOKSSA-N 458.624 3.859 10 10 JHCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 101346780 MNPVNADRQNCJAS-BKUYFWCQSA-N 480.525 3.752 10 10 JHCE Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)o1 102464426 LFJLUKBNGVNRRI-XYTBZZNTSA-N 487.519 3.563 10 10 JHCE Cn1nc(O)c2c(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)cc(C3CC3)nc21 726567643 OVPCWCFDUZRQFU-UHFFFAOYSA-N 457.481 3.552 10 10 JHCE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@@H](C)c3ccccc3O)cc2)cc1 1632250310 QEWSIHMRCXTNSG-INIZCTEOSA-N 452.532 3.564 10 10 JHCE Cc1nnc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)s1 1860344764 DYTRREMMHWSGLW-UHFFFAOYSA-N 456.531 3.763 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 1862141053 DYOTXRQHKJKJHY-IGKXFLDPSA-N 462.377 3.869 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864014625 ZHVVGYFKUPUICA-HXUWFJFHSA-N 482.606 3.772 10 10 JHCE CCOC(=O)c1c(NC(=O)CCN2C(=O)CSC2=S)sc(C(=O)OC2CCCCC2)c1C 1865767922 ILHTZXMFKDEQQV-UHFFFAOYSA-N 498.648 3.912 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(Cl)c4)cn3C[C@H](C)O)CC2)cc1 1870408853 KPOVRPJTDUYXSD-FQEVSTJZSA-N 498.023 3.792 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5cccc(C)c5)ncnc4n3C)CC2)cc1 1875197135 BGHQGKREOIDYNU-UHFFFAOYSA-N 470.577 3.860 10 10 JHCE COCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cc(C)ccc3C)c3ccccc32)SC1=S 2296711223 DCOQSAYSUCGZPS-UHFFFAOYSA-N 481.599 3.507 10 10 JHCE COC(=O)c1c(NC=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)sc2c1CCCC2 2297458266 DBDVFNJYOFBAMO-UHFFFAOYSA-N 469.588 3.774 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 2313558064 RUGIKUJITXWXRU-UHFFFAOYSA-N 490.443 3.808 10 10 JHCE COc1ccc(C(=O)[C@H]2C3(C(=O)c4ccccc4C3=O)N3CCC[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 2091209 JQYCMTTZYLBTFV-JUMFHWHPSA-N 492.531 3.680 10 10 JHCE biogenic COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1C 8800204 IGYDYVMZLGXTEF-XMMPIXPASA-N 457.640 3.892 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 15037396 ZVVDLACVGZYSAA-PDGQHHTCSA-N 458.561 3.948 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C(F)(F)F)on4)cs3)CC2)cc1 33299222 QVEKNSXUSPBVAE-UHFFFAOYSA-N 473.498 3.941 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 35518519 TWBCFYJPGYTIBT-XMHGGMMESA-N 485.587 3.753 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 47152362 VBKOFWKWHVIQNC-SJWFJVLYSA-N 473.532 3.928 10 10 JHCE O=C(NCc1ccc(OCc2ccccn2)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 918220424 FMXVLJCISTYMHO-UHFFFAOYSA-N 464.541 3.760 10 10 JHCE CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCCSc2nccs2)[C@H](C)C1 1596245421 NHGFKKUUMKTQAR-GOSISDBHSA-N 470.668 3.759 10 10 JHCE CCCc1ccc(OCC(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862196947 GCJKJVAIFZUBTB-VWLOTQADSA-N 499.677 3.613 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865035422 TUWOXZKZVXAQMR-JOCHJYFZSA-N 474.561 3.941 10 10 JHCE CC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866708673 VFYFLGOCWLSCCT-XUZZJYLKSA-N 469.541 3.598 10 10 JHCE CC[C@@H](NC(=O)c1cccc(OC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867295908 CFOYNTGXYMJBFZ-FTJBHMTQSA-N 494.636 3.530 10 10 JHCE CCCN(CCC)c1cccc(C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)n1 1868604478 JUSQZBYBNQSWRR-SANMLTNESA-N 495.668 3.820 10 10 JHCE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421159 JUJIEVJHRMIZBD-UHFFFAOYSA-N 486.572 3.634 10 10 JHCE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228430 WPGTWGAUNZWVCA-SFHVURJKSA-N 454.939 3.951 10 10 JHCE CC[C@H](C)N1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296704016 JTSOONOKRIUKBG-ARFHVFGLSA-N 472.636 3.616 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 2314827639 JHFIPRKPNZUPIF-UHFFFAOYSA-N 459.505 3.539 10 10 JHCE Cc1ccc(CNC(=O)[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2381147953 VPBVYEACSFQFIP-AWEZNQCLSA-N 459.406 3.679 10 10 JHCE CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 14741878 FFMXVJFFXGHRBS-RMKNXTFCSA-N 475.637 3.912 10 10 JHCE O=C(O)CCOc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1 16908203 NERVIUSZECBBGN-LFIBNONCSA-N 462.936 3.740 10 10 JHCE Cc1ccc(-n2cc3c(N4CCC[C@@H](C(=O)NCc5ccc(N(C)C)cc5)C4)ncnc3n2)cc1 33273807 JTCXGNDBLCQMPC-OAQYLSRUSA-N 469.593 3.723 10 10 JHCE CCOCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCC(C)C)C1=O 33906264 GLXQXWZMLHEPDJ-SAPNQHFASA-N 460.625 3.780 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCC1 35962095 LZHVBOBMIYUSDY-QFIPXVFZSA-N 456.974 3.631 10 10 JHCE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](C(=O)O)(c4ccccc4)[C@@H]3C2=O)cc1 43218943 BPHIQZPOHAIBLX-VVEDBRRQSA-N 483.568 3.745 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)c1C 103555699 KEHSUHILJKGKRC-XKZIYDEJSA-N 496.523 3.834 10 10 JHCE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 1435335422 ZGNVTWIDNUVTBG-AUSIDOKSSA-N 457.521 3.909 10 10 JHCE CC(=O)N/C(=C/C1=S=CC=C1)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 1443541625 SYANLLKYLPZBLI-YVJFHRMNSA-N 459.571 3.900 10 10 JHCE C[C@@H](NC(=O)Cc1ccc(Br)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858767947 DURRDKDOIIGVAH-GFCCVEGCSA-N 497.370 3.972 10 10 JHCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864010189 JOXORSIUEXZCDO-UZLBHIALSA-N 456.587 3.954 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCOC(C)C)[C@H]2c1ccc(O)c(O)c1 1864016506 QUBSVYWVDWXPMU-NRFANRHFSA-N 492.576 3.607 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028555 WTCUDWAMFGQBBH-QFIPXVFZSA-N 460.534 3.607 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865028878 AIBMPLOMXQCHBB-NRFANRHFSA-N 460.534 3.553 10 10 JHCE CNC(=O)COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871017529 IFKVNMQOQQJEKN-UHFFFAOYSA-N 458.518 3.970 10 10 JHCE COc1ccc(N2CCN(C(=O)CN(C)c3nc4ccc(OC(F)(F)F)cc4s3)CC2)cc1 1891991394 KGJWUJYKRCHOKD-UHFFFAOYSA-N 480.512 3.989 10 10 JHCE CCOC(=O)c1nn(Cc2cc(C)ccc2O)c(C(F)(F)F)c1I 2079144310 ZPYQTZNQROLFMX-UHFFFAOYSA-N 454.186 3.746 10 10 JHCE COCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2314414168 RHVLONPXUJLEKP-UHFFFAOYSA-N 484.578 3.602 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)SC2=S)cc1OC 2228718 YRZYFLFMWPUISU-RGEXLXHISA-N 460.577 3.577 10 10 JHCE COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(=O)OC)c1C 33448241 LAKUDNKBKFWZTQ-ISXGRJCASA-N 478.545 3.732 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 54310865 BSGVQMVBJDLKEG-IBGZPJMESA-N 479.986 3.924 10 10 JHCE O=C(Nc1cc(I)cc(I)c1)c1ccc(O)c(O)c1 690415667 QAQMWRGEMYDGBC-UHFFFAOYSA-N 481.027 3.559 10 10 JHCE O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 726708089 LBQRNXZJNKREAG-HXUWFJFHSA-N 465.529 3.802 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)COC(c3ccccc3)c3ccccc3)cc2)CC1 1466882758 RBGGWCMAZXMRTL-UHFFFAOYSA-N 457.574 3.778 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(OC)cc4C)cn3)CC2)cc1 1858428998 COALZRORHNMEEM-UHFFFAOYSA-N 468.579 3.535 10 10 JHCE CCCC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862073009 RSFUPPOHCXHSGC-RUZDIDTESA-N 462.594 3.743 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)COc3ccc(Cl)cc3)c3ccccc3)CC2)cc1 1862244441 JDWLBCUZEUEBTP-AREMUKBSSA-N 493.991 3.934 10 10 JHCE CCOc1ccc(Nc2ncc([N+](=O)[O-])c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1871303000 CPTRQZBYNRSXDY-UHFFFAOYSA-N 450.499 3.862 10 10 JHCE COc1cccc([C@H]2[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)c1 1874179758 NTUKIFJTNGCRIW-YKSBVNFPSA-N 454.482 3.629 10 10 JHCE COc1ccc([C@H](C2CC2)n2nc(C(F)(F)F)c(N)c2I)c(O)c1 2079854080 FDLWHSSPYTVXQW-LBPRGKRZSA-N 453.202 3.802 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2S1 2297345855 IUUFSTMDSNLODL-UHFFFAOYSA-N 474.951 3.540 10 10 JHCE COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 2297554610 KWVGTHOPBSNIOB-UHFFFAOYSA-N 484.555 3.792 10 10 JHCE C[C@@H](NC(=O)CN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 2314827626 JBZHYJGKNBHDLG-CYBMUJFWSA-N 450.541 3.784 10 10 JHCE COc1ccc2[nH]cc(C=C3SC(=S)N([C@@H](Cc4ccc(O)cc4)C(=O)O)C3=O)c2c1 2318684298 YIFDMDSHAXUDID-SFHVURJKSA-N 454.529 3.779 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 248045059 LYSFFSFWAKWIDZ-JWQCQUIFSA-N 461.606 3.877 10 10 JHCE CC[C@@H](NC(=O)/C=C/c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861948843 IFFCAZGXJIPQLL-ASMPOHIYSA-N 486.410 3.715 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCCOc3ccc(C)cc3)CC2)cc1 1862215690 QZRAKQXHTMEQPQ-VWLOTQADSA-N 499.677 3.749 10 10 JHCE CCC[C@@H](NC(=O)CCCOc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862226284 LFJQVHDBNKFEDH-XMMPIXPASA-N 467.610 3.796 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865027920 NQZLLMHWWJUBKI-HSZRJFAPSA-N 474.561 3.748 10 10 JHCE COc1ccc(Nc2nc(=NCc3ccccc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871561732 HKLZCRCHAZDTBD-UHFFFAOYSA-N 497.603 3.993 10 10 JHCE CCN(CC)CCCN1C(=O)C(NCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169224 GEJKOIRHZIMQBH-UHFFFAOYSA-N 493.696 3.837 10 10 JHCE CCn1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546135 DBNJQOWLMCQEIF-WOJBJXKFSA-N 476.625 3.905 10 10 JHCE COc1ccccc1[C@H]1[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC(=O)N1C 1874179388 BGMFSDFDJMCIKE-DVECYGJZSA-N 454.482 3.629 10 10 JHCE CCc1nn([C@@H](c2cc(C)c(C)cc2O)C2CCC2)c(I)c1C(N)=O 2079939635 QLMJSFAGMXXDGX-QGZVFWFLSA-N 453.324 3.861 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)O 2297362624 VFISXAQMGTXRTA-UHFFFAOYSA-N 479.272 3.522 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c(C)n1-c1ccc2ccccc2c1 2297499179 CCUMBYXWIJDSQS-UHFFFAOYSA-N 477.571 3.869 10 10 JHCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4cc(OC)ccc4OC)n3)cc21 11857687 UWUBHGPAOQUUHL-UHFFFAOYSA-N 489.575 3.764 10 10 JHCE CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC)c2C)cc1 20206660 VMSJQTQHNZJKHV-BIWIXZEJSA-N 469.592 3.668 10 10 JHCE CCC1=NN2C(=N)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 34367846 BSGQHJDKMFLHBB-YPCMJIQLSA-N 484.559 3.800 10 10 JHCE COc1cc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc(Br)c1O 1858592055 HIGYQKPGHFHKKT-DELQEKLWSA-N 460.371 3.864 10 10 JHCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864020467 ZNYDMGQPSPWIMY-LJQANCHMSA-N 468.941 3.719 10 10 JHCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027731 JXGZQNBAQNYOSD-MZNJEOGPSA-N 488.588 3.913 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865034564 ZQYFIKNBFYMKCM-BLLLJJGKSA-N 480.487 3.819 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4cccs4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1 1869970765 WZCISCNBGROQKH-UHFFFAOYSA-N 474.590 3.647 10 10 JHCE CC(C)[C@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179779 OYZSJDLVDXSAAV-SANMLTNESA-N 453.498 3.951 10 10 JHCE COC(=O)c1c(C(F)(F)F)nn([C@H](C)c2ccc(OC)cc2O)c1I 2079857934 IHUCDYPDGMVBQB-SSDOTTSWSA-N 470.185 3.617 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)NC(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)c1 2297316363 FNUSKKPRHUFLQX-UHFFFAOYSA-N 471.561 4.000 10 10 JHCE CCCN1C(=O)C(=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)c2ccccc21 2314767245 FHJQCEAQMJJUNA-SFHVURJKSA-N 452.557 3.929 10 10 JHCE COCCN1C(=O)N(Cc2ccccc2)C2(CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)C1=O 97359944 VXKQACUEBIHQRT-YFHOEESVSA-N 476.621 3.711 10 10 JHCE CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CC1CCCCC1)(C(=O)O)N[C@H]2c1ccc(N(C)C)cc1 248060139 PTOAMDDKGJZDIY-MSZDEVHKSA-N 455.599 3.592 10 10 JHCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526354050 VUPNHWAZWJYOCJ-HSZRJFAPSA-N 477.469 3.959 10 10 JHCE Cc1cc(CCNC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)c(C)n1-c1ccccc1 727938681 ZVNDRPQPBMSVQY-HHHXNRCGSA-N 459.638 3.925 10 10 JHCE CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccn3)ccc21 1260798469 LFGQOYPHSNSAPN-UHFFFAOYSA-N 455.923 3.676 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4ccc(O)c(O)c4)c4ccccc34)[C@@H]21 1860347271 GWDHRROUKZAEHO-MUUNZHRXSA-N 496.567 3.558 10 10 JHCE CCc1ccc(C(=O)N=c2nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]n2C(C)(C)C)cc1 1869971159 ZYFJHUNYSZRMEP-UHFFFAOYSA-N 462.598 3.605 10 10 JHCE CCOc1ccccc1C=CC(=O)NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2040489984 JBTLMTCMMVZAKG-UHFFFAOYSA-N 482.583 3.845 10 10 JHCE CC[C@](C)(O)CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 2180671974 ZGTQKCBBFACXJU-FNZWTVRRSA-N 472.582 3.723 10 10 JHCE Cc1cc(OCCn2cccc2C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1Cl 2296559537 OASJTEHBCRGNHB-UHFFFAOYSA-N 453.882 3.784 10 10 JHCE COc1cc(C=C2SC(=S)N([C@@H](C)C(=O)Nc3cccc(C)c3)C2=O)cc(OC)c1O 2314837548 UFWOQUUBUBGSLN-ZDUSSCGKSA-N 458.561 3.946 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OCC 2323840746 RTNXYBYWTXTMRF-UHFFFAOYSA-N 492.644 3.575 10 10 JHCE COc1ccc(CO[C@H]2[C@@H](OCc3ccccc3)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)O[C@@H]2COC(C)=O)cc1 616589486 NOLUREWJMGQUDD-LFCBLZOASA-N 499.520 3.696 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N(C)Cc3ccccc3OC(F)(F)F)CC2)cc1 742947427 FBSIUTJALFTXTK-UHFFFAOYSA-N 466.504 3.557 10 10 JHCE CC(=O)c1cc(F)cc(CN2CCn3c(Cc4cccc(Br)c4)nnc3C2)c1O 1307723412 DVXBQMBFIMQAIQ-UHFFFAOYSA-N 459.319 3.695 10 10 JHCE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCSc2nccs2)CC1 1705635686 HIQALUFMTGNSKN-UHFFFAOYSA-N 452.653 3.902 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN(C(=O)c4ccc(C(F)(F)F)cc4)C3)CC2)cc1 1858382558 NKHOGOIDABCIBT-GOSISDBHSA-N 461.484 3.525 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)NCCc2ccc(O)cc2)sc(C)c1-c1ccc(C)cc1 1860761502 WHNFTAYBHKDQSE-UHFFFAOYSA-N 452.532 3.822 10 10 JHCE C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866902316 LDTDEOAHTCJAMZ-XDHUDOTRSA-N 499.542 3.709 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 1868651879 VGCRDWXXOFHHKU-QGZVFWFLSA-N 496.995 3.708 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(C)[C@@H](c3ccccc3)C2)n1 1869132581 GLZONSIMMMLXSA-RUZDIDTESA-N 472.637 3.867 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(F)c(Cl)c3)CC2)cc1 1873535216 PADVIZBAFVXQDY-UHFFFAOYSA-N 465.916 3.908 10 10 JHCE O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2cc(O)nc(O)c2)CC1 1952609289 UREPNDOBRQXBGJ-UHFFFAOYSA-N 460.486 3.860 10 10 JHCE CC[C@H](C)N1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3c(C)cccn3c2=O)SC1=S 2296705158 XHEGALNPEGEXHT-LSDHHAIUSA-N 458.609 3.594 10 10 JHCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 2297306919 MRGUODAOXGQZSL-UHFFFAOYSA-N 455.966 3.995 10 10 JHCE C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2297500975 YVESAZYLYKTSQP-JTQLQIEISA-N 462.936 3.972 10 10 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10 10 JHCE CCN1CCN(c2ccc(CNC(=O)NCc3ccccc3OC(F)(F)F)cc2F)CC1 730578522 PDIOXUUILZERHL-UHFFFAOYSA-N 454.468 3.866 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCCSc2nccs2)CC1 1741046741 PVTSDWIOKXQSPE-UHFFFAOYSA-N 463.032 3.906 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865028017 STXWQVWAIONPAV-QFIPXVFZSA-N 460.534 3.545 10 10 JHCE O=C(Nc1c(Br)cccc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1865884169 ODCWRTVVZJSQQK-UHFFFAOYSA-N 480.274 3.591 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3F)CC2)n1 1867956727 SCURLXDYKSZIJO-UHFFFAOYSA-N 476.600 3.840 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCCN(C)C)C2=O)cc1 1873167761 WLGARLXARNWXJA-UHFFFAOYSA-N 491.680 3.591 10 10 JHCE COCCN1C(=O)C(Nc2ccc(OC)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420712 UQFFEDCXHUYPIH-UHFFFAOYSA-N 490.516 3.849 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccc(Br)cc3)CC2)cc1 1873471898 MHKUCDFJZHOIDJ-UHFFFAOYSA-N 465.355 3.913 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccco3)n4CC(C)C)CC2)cc1 1873579320 NZTAGLWJCKELAY-UHFFFAOYSA-N 488.592 3.946 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294095314 PKQKELHNWBQZMZ-UHFFFAOYSA-N 490.443 3.778 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3cc(C)n(-c4cc(C)ccc4C)c3C)C(=N)N21 2297345583 JQYDCKJQKQDZGJ-UHFFFAOYSA-N 469.592 3.722 10 10 JHCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2ccc(O)cc2O)cc1 21659006 WHALLIWMRYLJDK-QHCPKHFHSA-N 480.524 3.929 10 10 JHCE CCOCCCN1C(=O)/C(=C\c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S 33934877 LVXNJFZIGUTHHS-GZTJUZNOSA-N 460.625 3.699 10 10 JHCE O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1 1859571459 IHPNNYPYGXKZNT-UHFFFAOYSA-N 476.539 3.802 10 10 JHCE O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)NCCc1ccc(O)c(O)c1 1860256383 YDBKLQUYKYQQEJ-UHFFFAOYSA-N 467.424 3.887 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030398 JAKWIRQHOPKEAR-IIBYNOLFSA-N 468.598 3.856 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(F)cc5)CC4)nc(C)n3)CC2)cc1 1867988064 DCYUCRYNZPPPGG-UHFFFAOYSA-N 462.573 3.586 10 10 JHCE COc1ccc(N2CCN(c3cc(N(C)CCc4cnc[nH]4)nc(Cc4ccccc4)n3)CC2)cc1 1869079317 BSUXNUBASMCDKO-UHFFFAOYSA-N 483.620 3.805 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cn(-c4cccc(C(F)(F)F)c4)c(=O)cc3O)CC2)cc1 1870131082 XOMXVMMQWICUTF-UHFFFAOYSA-N 473.451 3.533 10 10 JHCE COc1ccc(N2CCN(Cc3ccc(C(=O)NCCCCN4CCCC4)cc3)CC2)cc1 1872884132 MINGKLGIUBKNJR-UHFFFAOYSA-N 450.627 3.623 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)c1 2296885329 PGJOMAKENPNBAH-UHFFFAOYSA-N 473.532 3.929 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CC)CC)cc3OCC)C2=O)cc1 2313548078 LBKXRPDBYCICKX-UHFFFAOYSA-N 451.523 3.997 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 2314489255 RJGNIZYUHVEKGH-UHFFFAOYSA-N 486.575 3.963 10 10 JHCE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c(C)c1 39835853 KREKVIXDPBIRBD-SFQUDFHCSA-N 481.555 3.780 10 10 JHCE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(C2CCCCC2)C1=O 102704629 XUIAEMSBVNRREY-GYZOOYGHSA-N 472.636 3.720 10 10 JHCE Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)/C=C\c2ccc(N(C)C)cc2)s1 210138344 VNKXUSSZIHRJTJ-JYRVWZFOSA-N 483.619 3.706 10 10 JHCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCn1cccc1 1860344770 FJAGRBLJTUBEAE-UHFFFAOYSA-N 451.530 3.582 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccc(OCC(C)C)c3)CC2)cc1 1862255288 BSAARTVZORKYCU-RUZDIDTESA-N 465.594 3.683 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864013597 DJAAAOWCOIHYFX-QFIPXVFZSA-N 476.577 3.895 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028486 WAZIAJGPQAATJY-HSZRJFAPSA-N 474.561 3.998 10 10 JHCE CC[C@H](NC(=O)c1ccccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867914355 FBOAUPMOFKVDKC-BJKOFHAPSA-N 466.626 3.613 10 10 JHCE COc1cccc([C@@H](C)CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1868155073 KUHFFTAXJJYUSH-INIZCTEOSA-N 456.498 3.719 10 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VYMUAMOFKOTAAB-UHFFFAOYSA-N 492.351 3.958 10 10 JHCE CCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864010698 VTRABFPQRANVMY-JOCHJYFZSA-N 492.576 3.811 10 10 JHCE CC[C@H](C)NC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870523616 DOCPRPGJKVHURR-QFIPXVFZSA-N 498.668 3.519 10 10 JHCE C[C@H]1CC(C)(C)N2C(=O)/C(=C3\SC(=S)NC3=O)c3cc(I)cc1c32 2185889269 NUCFQYMZJJIAAY-OJAWZFAXSA-N 470.357 3.783 10 10 JHCE O=C(NN1C(=O)C(=Cc2nc3ccccc3[nH]2)SC1=S)c1ccc(Br)cc1 2296879801 CYICKQFBMNBUCS-UHFFFAOYSA-N 459.350 3.872 10 10 JHCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352820 ZSAWKSIGZXJCEG-UHFFFAOYSA-N 463.494 3.717 10 10 JHCE CCOc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O 2297353883 PNTDAEFCTDCFLP-UHFFFAOYSA-N 465.340 3.746 10 10 JHCE CC(=O)Nc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1 15223876 NKJREJLGTGAXJT-ULJHMMPZSA-N 467.529 3.686 10 10 JHCE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 33436555 CLDPEAOBULOIOD-MIQLPHMESA-N 484.647 3.619 10 10 JHCE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 97464733 CBIORHWQXDOQIW-DAQNXSASSA-N 480.615 3.587 10 10 JHCE CN(C)S(=O)(=O)N(Cc1ccccc1Cl)c1cccc2c1C(=O)c1ccccc1C2=O 586233216 CSZOZJCVWXADGV-UHFFFAOYSA-N 454.935 3.928 10 10 JHCE O=C1[C@@H]([C@@H]2SC(=S)N(CCc3ccccc3)C2=O)SC(=S)N1CCc1ccccc1 606671889 BGMIHZUDLIHLLA-HDICACEKSA-N 472.682 3.930 10 10 JHCE CCN1CCN(C(=O)CC2CCN(C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)CC2)CC1 731279255 ZJHMYLMWMJQXRE-UHFFFAOYSA-N 479.669 3.612 10 10 JHCE CC[C@H](NC(=O)CCc1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861951786 JSBPTZPXHZCGMN-QFIPXVFZSA-N 488.426 3.634 10 10 JHCE CCCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(CC)cc1)=C(N)O2 1864013244 UCHMROSLUINYCL-OYHNWAKOSA-N 476.577 3.918 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864019289 XVQCQCFPSLDVKF-HXUWFJFHSA-N 482.968 3.779 10 10 JHCE COc1ccccc1CN1C(=O)C(NCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165871 USTSRZWIPRHJQX-UHFFFAOYSA-N 472.589 3.534 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(OC)c3)n4C)CC2)cc1 1873650121 COSZKNSUCIAMCQ-UHFFFAOYSA-N 472.549 3.564 10 10 JHCE O=C(O)CCN1C(=O)C(=Cc2cc(Br)c(O)c(Br)c2)SC1=S 2042446150 VONPDJRXFURAOI-UHFFFAOYSA-N 467.160 3.593 10 10 JHCE C[C@@H](N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)O 2180672295 CABPGNSFKADTNG-XLIONFOSSA-N 472.582 3.722 10 10 JHCE COc1cc(C=C2C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccco1 2297506080 UVSSFJCEGOZOGO-UHFFFAOYSA-N 472.375 3.988 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C(=O)NC2=S)c(OC)c1 2313543835 MOOWVISPJOPQJU-UHFFFAOYSA-N 461.543 3.943 10 10 JHCE CCOC(=O)[C@@H](C)N1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314741358 XLEFZLFXPKQPAA-SECBINFHSA-N 460.371 3.619 10 10 JHCE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(OC)c(OC)c4)SC3=S)C2=O)cc1 2314832490 HZZDXOZIHIRNDN-QGZVFWFLSA-N 498.582 3.636 10 10 JHCE CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cccc(OC(=O)c4cccs4)c3)C2=O)cc1 666904 SWAFQXJUTFNVOU-XMHGGMMESA-N 462.483 3.605 10 10 JHCE CC(C)C1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)N=C2S1 27832762 DFUVHNRHCFWBRT-SABKFZPKSA-N 454.533 3.729 10 10 JHCE CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)o2)cc1 34982618 ZFFQAJDSGZZFFD-CLXYIWAZSA-N 477.585 3.512 10 10 JHCE COc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1Cl 39868813 YNBRYOZWAKEDNU-KRWDZBQOSA-N 471.406 3.898 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C)cc2C)[C@@H]2CCS(=O)(=O)C2)cc1 40315497 YMFGDMCHCVNROI-RPBOFIJWSA-N 474.667 3.579 10 10 JHCE COc1ccc(N2CCN(c3c4c(nc5nc(Cc6ccc(C)cc6)nn35)CCC4)CC2)cc1 46023030 VIOLQQPOQAMODM-UHFFFAOYSA-N 454.578 3.847 10 10 JHCE Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C 96460168 UBXLCMMSONURFQ-OCPFPYFVSA-N 475.983 3.677 10 10 JHCE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864010789 WKSRVNCCTVTIMG-WNSKOXEYSA-N 492.576 3.839 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@H]1c1ccc(O)c(O)c1 1864017101 FNGPXCDXINFELR-HXUWFJFHSA-N 478.549 3.601 10 10 JHCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864020230 WZEAIAPWSONVNA-FQEVSTJZSA-N 482.968 3.966 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865032274 ZSXDMBCEDZPAAG-KRWDZBQOSA-N 488.466 3.865 10 10 JHCE COc1cc(OC)c2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(O)c2c1 1866552093 RJIJGENEDSLXAL-HSZRJFAPSA-N 478.593 3.981 10 10 JHCE CC[C@](C)(NC(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867776762 KIHBUNVCVQXQCD-IGKIAQTJSA-N 450.627 3.995 10 10 JHCE CSCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867778446 SAWVKGZOJLQQCY-DQEYMECFSA-N 482.694 3.948 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C4CCC4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969645 SELBHPPXUWKLOO-UHFFFAOYSA-N 466.973 3.995 10 10 JHCE CCOc1cn(Cc2ccc(F)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870363494 XGVKXMOOWCOXND-UHFFFAOYSA-N 451.542 3.765 10 10 JHCE CCCOC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871235726 AWHCHNWLFZEODK-LJQANCHMSA-N 465.550 3.917 10 10 JHCE O=C([C@H]1CN(C(=O)C=Cc2c(Cl)nc3ccccn23)c2ccccc2O1)N1CCCCC1 2040481708 BFPVAPVCNLIBCA-HXUWFJFHSA-N 450.926 3.808 10 10 JHCE Cc1ccccc1Cn1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21 2297345813 FJBVILLLVNQULV-UHFFFAOYSA-N 477.571 3.619 10 10 JHCE COc1ccc(OC)c(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)c1 2313547793 BZRKUHGJRCEUKJ-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc3noc(-c4ccccc4)c3c2)SC1=S 2314489827 VUJBBJWWEVDXJW-HNNXBMFYSA-N 454.485 3.624 10 10 JHCE CC[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2cccc(O)c2)C1=O)C(C)=O 2314926892 UWRHRHFMTQZBKX-KRWDZBQOSA-N 456.545 3.685 10 10 JHCE Cc1cccc(OCCCN2C(=O)C(=C3SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)c1 2326944893 APDGGZHTMWMQBU-UHFFFAOYSA-N 482.583 3.857 10 10 JHCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(C(F)(F)F)=NN1Cc1ccc(F)cc1 2332141297 OKRUEXXIHLQZAA-UHFFFAOYSA-N 451.332 3.849 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cccc(Nc4nc5ccccc5n5cnnc45)c3)CC2)cc1 9561293 VQVXIPZGCTVLNZ-UHFFFAOYSA-N 479.544 3.992 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(C)C)c(OS(=O)(=O)CC)c1 36009025 URXWQHSHCYLCER-NRFANRHFSA-N 454.633 3.815 10 10 JHCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 47152357 JZEYFCYWDFISAP-VBYYMIJXSA-N 459.505 3.537 10 10 JHCE COc1ccc2c(CCNC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)c[nH]c2c1 95927125 PLWQLWYGUNOBKJ-JAIQZWGSSA-N 451.573 3.737 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(NC3CCCC3)nc12 102861634 MJNZTQBZEPXGNV-IQFISFIMSA-N 470.620 3.738 10 10 JHCE O=S(=O)(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1cccc2nsnc12 585493200 XWPDECAAESPADC-UHFFFAOYSA-N 453.553 3.626 10 10 JHCE COc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 1084636088 LDHZBZHEJJMGPJ-ZROIWOOFSA-N 459.296 3.750 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864014039 LVXDPGRBARGWPL-HXUWFJFHSA-N 482.968 3.931 10 10 JHCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864020371 CGZPZRYCTRUMOR-HXUWFJFHSA-N 454.571 3.800 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865031887 QQISNNKDXHERMA-HXUWFJFHSA-N 462.550 3.842 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3ccc(C(F)(F)F)cc3c2=O)c2nccn2C)cc1 1866470637 NNEHXJDWTYCYCM-HXUWFJFHSA-N 469.467 3.866 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@]3(C)Oc4ccccc4N(CCc4ccccc4)C3=O)CC2)cc1 1871336143 ILEISHZOUJPQCK-LJAQVGFWSA-N 485.584 3.771 10 10 JHCE O=C(N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)OCc1ccccc1 1874016244 DFJZQRCTWKMSQD-QHCPKHFHSA-N 494.507 3.661 10 10 JHCE Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2040498018 ADHSLZCRKXTXIJ-HZPDHXFCSA-N 496.614 3.611 10 10 JHCE Cc1ccc(CN2C(=O)C(=C3SC(N4CCOCC4)=NC3=O)c3cc(Br)ccc32)cc1 2053467626 JDBAVPCFBKIAKB-UHFFFAOYSA-N 498.402 3.977 10 10 JHCE CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S 2297482118 LLKDBGLKLKMTOR-UHFFFAOYSA-N 490.990 3.684 10 10 JHCE COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1F 8608572 AQYCUMVXNLJNMH-DEOSSOPVSA-N 469.582 3.983 10 10 JHCE aggregator Cc1cccc(Oc2nccnc2N2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 33288295 MUPWNACTDCDANL-UHFFFAOYSA-N 487.604 3.947 10 10 JHCE COCC(=O)N(C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1OC)C(C)C 34740900 IPVAVAPKCVDHPR-RDGATRHJSA-N 453.627 3.860 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCc3ccc(O)cc3)C2=O)cc1 97595317 PKJHMDGFJDCGNM-HMMYKYKNSA-N 456.589 3.741 10 10 JHCE CC[C@@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868748578 HNHOZASNKIKBGW-SDFCAVLBSA-N 455.986 3.996 10 10 JHCE CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870365227 HKZCQSBREQETDY-UHFFFAOYSA-N 493.604 3.665 10 10 JHCE CCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2053493233 HIHHQDKHAWBOLQ-IYBDPMFKSA-N 472.636 3.618 10 10 JHCE CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)cc2)s1 2297321467 HMJJIRDDIXEIIN-UHFFFAOYSA-N 482.591 3.928 10 10 JHCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCOCC)C1=O 2314413841 IZSCFVXAPCMILI-UHFFFAOYSA-N 460.625 3.924 10 10 JHCE CCOC(=O)c1ccc(NC(=O)COc2ccc(C=C3SC(=S)NC3=O)cc2OCC)cc1 2314836014 YBVZFVGXDXJAMX-UHFFFAOYSA-N 486.571 3.768 10 10 JHCE CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc3c(c1)CCCN3C)CC2 14530954 UQMOFWOMQBGXJI-UHFFFAOYSA-N 472.633 3.855 10 10 JHCE O=C(O)CCNC(=O)CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15040340 IRCINLXIXSHIJR-HKWRFOASSA-N 484.599 3.838 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(C)c(C)c3)c3ccco3)CC2)cc1 38607147 XZLSRNALHUOOPP-XMMPIXPASA-N 469.607 3.747 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccccc2F)[C@H]2CCS(=O)(=O)C2)cc1 54310913 UTDGBFAJWWUMOF-RXVVDRJESA-N 462.587 3.655 10 10 JHCE C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100059712 AHVVUYGOVLCLKG-GDNBJRDFSA-N 481.481 3.595 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c(NC(C)C)nc12 102849739 LRMMMQLCOJOWGO-FOWTUZBSSA-N 474.608 3.669 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccsc3)n2CCCSc2nccs2)C1 1301660035 HXYCOGBASWCRGW-GOSISDBHSA-N 476.697 3.874 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865032845 MLIYCUSSFNKWAS-QFIPXVFZSA-N 474.561 3.943 10 10 JHCE CC[C@@](C)(NC(=O)CCCc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868953081 XZJDLMAWPUQLQK-HHHXNRCGSA-N 451.611 3.960 10 10 JHCE CCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1CC(C)C 1873576048 GVRDXVPVTNSBTK-UHFFFAOYSA-N 464.614 3.952 10 10 JHCE COc1ccc(N2CCN(C(=O)CSc3n[nH]c(C=Cc4ccc(F)cc4)n3)CC2)cc1 2042450022 PPMZPSQGNKELIK-UHFFFAOYSA-N 453.543 3.564 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(NCCCOC(C)C)nc12 2296731371 RZISCKPXQROJQM-UHFFFAOYSA-N 460.625 3.840 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCOc1ccccc1OC 2313682949 OJBCBGQTYDBZAO-UHFFFAOYSA-N 480.546 3.513 10 10 JHCE CCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2314400175 JZSHSSXYASOADI-HZPDHXFCSA-N 472.636 3.618 10 10 JHCE CCOc1cc(/C=C2\N=C(c3ccc(-n4c(C)ccc4C)cc3)OC2=O)ccc1OCC(N)=O 13068659 DLQJVVOUOKJJHK-BKUYFWCQSA-N 459.502 3.701 10 10 JHCE Cc1ccc(F)c(NC(=O)c2coc(CN3CCN(Cc4ccc(N(C)C)cc4)CC3)n2)c1 34678187 LBUGROZDLALZFA-UHFFFAOYSA-N 451.546 3.758 10 10 JHCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])SC2=S)c1 39861774 SHQUKXUEOGVUTK-JLJGJNDSSA-N 456.457 3.953 10 10 JHCE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 47152341 KKCNNXRLTKYQLG-FFCYNSPCSA-N 457.489 3.521 10 10 JHCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@@H](C(=O)NCCc4ccccc4)[C@@H]3C2)cc1 169681916 IISILOVLVSYYNH-IAPPQJPRSA-N 471.601 3.930 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 210452759 MHLFFNHWRYQXNS-UNOMPAQXSA-N 459.545 3.611 10 10 JHCE CC(=O)c1cc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)ccc1Br 1561664154 PBHGWJSOERFUCX-CQSZACIVSA-N 453.402 3.936 10 10 JHCE CCOC(=O)c1cc(C)sc1NC(=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1860750269 OJJIJSGKUBTTGQ-UHFFFAOYSA-N 462.483 3.586 10 10 JHCE CCCOc1ccc(C(=O)N[C@H](CCC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862064570 NNKKSYJBIHFGRW-XMMPIXPASA-N 453.583 3.731 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCC(C)C)[C@H]2c1ccc(O)c(O)c1 1864015880 FQDRDRZLGAFUEP-FQEVSTJZSA-N 462.550 3.838 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019382 XXNMBAVUKINRKN-QHCPKHFHSA-N 497.555 3.560 10 10 JHCE COc1cc(OC)c2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c2c1 1866471863 KTAJLLLRIVEAKW-UHFFFAOYSA-N 454.438 3.573 10 10 JHCE CCC[C@@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867128624 IIXGLVDDZMOKGD-LJQANCHMSA-N 483.480 3.846 10 10 JHCE CC[C@@H](NC(=O)c1cccc(OC)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867389189 TXUUVPWCIXVDCH-RPBOFIJWSA-N 466.626 3.613 10 10 JHCE CCCCOC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871201384 ACBREQXRWDTLIS-UHFFFAOYSA-N 465.550 3.918 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)C)CC2)cc1 1874643299 VRXGLNWZWYGQRU-XMMPIXPASA-N 462.594 3.599 10 10 JHCE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)C1 2296706793 UICGYMWJRHNAJH-ZACQAIPSSA-N 484.647 3.557 10 10 JHCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2296846588 ZQSIURKMJAKXAX-UHFFFAOYSA-N 474.652 3.867 10 10 JHCE CCOC(=O)c1sc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)nc1C 10642858 VWCVXKXJAHRYBU-GXDHUFHOSA-N 479.580 3.997 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 16922624 DJXUIURPJJRYJZ-CHHVJCJISA-N 481.458 3.742 10 10 JHCE COC(=O)c1c(OCCCc2ccccc2)cc(=O)n2c1CCN(Cc1ccc(N(C)C)cc1)CC2 20599447 RJAXJIIUFRNXSZ-UHFFFAOYSA-N 489.616 3.771 10 10 JHCE O=C1[C@H]2[C@@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 22753107 LWGSRAMWSPNCKD-PCWGFLAMSA-N 494.459 3.631 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC(C)C)c(OS(=O)(=O)CC)c1 36009027 URXWQHSHCYLCER-OAQYLSRUSA-N 454.633 3.815 10 10 JHCE CCNC(=O)c1cc2ccc(OC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)cc2oc1=O 40892704 NUGLBLNCTQQYDZ-UHFFFAOYSA-N 469.449 3.828 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865033634 FKZMLXRSLSJHGZ-INIZCTEOSA-N 480.487 3.676 10 10 JHCE COCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870340970 FHZUFAZJGOVUFM-UHFFFAOYSA-N 481.568 3.544 10 10 JHCE COCCCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870621032 FDTLMCRDENGYTP-UHFFFAOYSA-N 495.595 3.934 10 10 JHCE CCOC(=O)N1CCC(N2C(=O)C(NC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873166462 ABCNQJKFPHLWGM-UHFFFAOYSA-N 478.593 3.793 10 10 JHCE CCOC(=O)c1sc(NC(=O)CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nc1C 1874016573 GQQKRUMHRIZGOF-UHFFFAOYSA-N 491.525 3.761 10 10 JHCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCSCC4)nc4ccccn4c3=O)SC2=S)cc1 2040498923 QIQTUVXRJZOJEC-UHFFFAOYSA-N 494.667 3.958 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 2297345841 HQEJXAGAIZSVMT-UHFFFAOYSA-N 477.571 3.869 10 10 JHCE CN1CCN(c2ccc(N3C(=O)C(=Cc4ccc5c(c4)OCCO5)SC3=S)cc2)CC1 2321684678 HWYKIPNPPFWBKC-UHFFFAOYSA-N 453.589 3.615 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(c3ccc4c(c3)OCC(=O)N4C)C2=O)cc1OC 2321736742 WIMVIXYDYHMWDC-UHFFFAOYSA-N 456.545 3.855 10 10 JHCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20356412 NIBMPWMGCOYFPI-BXODQFHZSA-N 466.479 3.536 10 10 JHCE COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33685877 ONMCWJKODCUERD-SILNSSARSA-N 475.457 3.523 10 10 JHCE C[C@H]1CN(c2ccc(OC(F)(F)F)cc2)C[C@@H](C)N1S(=O)(=O)c1cccc2c1C[C@H](C(=O)O)C2 43130440 FNUIAXIWDUBUGM-HLLBOEOZSA-N 498.523 3.673 10 10 JHCE investigational Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(I)c3O)C2=O)c1 59426666 KWJGMQQGZSAPPE-AUWJEWJLSA-N 496.688 3.933 10 10 JHCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 110579846 BNUZBSSZUXAWSC-RNXOBYDBSA-N 461.606 3.955 10 10 JHCE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@@](C(=O)O)(c4ccccc4)[C@@H]3C2=O)cc1 248010385 BPHIQZPOHAIBLX-MGQBIDJDSA-N 483.568 3.745 10 10 JHCE CCN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4ccc(C(=O)O)cc4)n3)ccc21 1859570329 CSBXNUBOFQWDCB-UHFFFAOYSA-N 457.533 3.608 10 10 JHCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)c3cc4ccccc4o3)c3ccccc32)SC1=S 1860826717 JTIGHNIRGPHYKB-MRCUWXFGSA-N 492.534 3.708 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)CCCOc3ccccc3C)CC2)cc1 1862230964 PTQBTUMAKSUMPS-XMMPIXPASA-N 499.677 3.749 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865031814 OPMJGDPNIJOUKJ-NRFANRHFSA-N 474.561 3.934 10 10 JHCE COCCn1c(C(=O)Nc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873650223 MKIAGUAYYYEMBR-UHFFFAOYSA-N 486.576 3.665 10 10 JHCE COC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C2CC2)c1I 2079874936 MEFWCIUOWWPUCF-AWEZNQCLSA-N 478.233 3.926 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C3(C)CC3)c(CN)c2I)c(O)c1 2080051884 FUDOYICUXUAILE-MRXNPFEDSA-N 453.324 3.712 10 10 JHCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 2294106432 RHTMFYITMWCHDU-UHFFFAOYSA-N 479.272 3.522 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(NC(C)C)nc12 2296721736 LRMMMQLCOJOWGO-UHFFFAOYSA-N 474.608 3.669 10 10 JHCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)cc1 2296885366 QUKXADQAWCFSIH-UHFFFAOYSA-N 452.513 3.642 10 10 JHCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2297306629 JPCKPSBXDYZWCE-UHFFFAOYSA-N 498.944 3.886 10 10 JHCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297352607 GEXWULLNRMXJHQ-UHFFFAOYSA-N 480.506 3.926 10 10 JHCE CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(O)nc(O)n(-c2ccc(Br)c(C)c2)c1=O 2297459128 FARQBDUIJQMUBW-UHFFFAOYSA-N 495.333 3.829 10 10 JHCE COc1cc(C=C2SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc(Br)c1O 2323812776 HIGYQKPGHFHKKT-LLVKDONJSA-N 460.371 3.864 10 10 JHCE COc1ccc(N2CCN(c3ccc(C(=O)O)cc3NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 32961934 PCPUJUNLYUGLAK-UHFFFAOYSA-N 481.574 3.829 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(Oc3ccccc3OC)nc3ccccn3c2=O)SC1=S 33422925 VOHLJYXDYWMYJI-NBVRZTHBSA-N 483.571 3.733 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4C)cc3)C(=N)N21 96460397 LFVOWXFKNXFMRE-VKGGKSIRSA-N 468.560 3.585 10 10 JHCE O=[N+]([O-])c1ccc(N=Nc2sc(N3CCN(CCO)CC3)nc2-c2ccc(O)cc2)cc1 254530243 DYOWRWWSZHKGBI-UHFFFAOYSA-N 454.512 3.954 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 1084422605 LVZBLBFQDFGVCI-GHXNOFRVSA-N 450.632 3.677 10 10 JHCE CCN(C(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n2ccccc12)c1ccccc1 1858227018 LBUIBVUKPKTXTE-UHFFFAOYSA-N 483.572 3.972 10 10 JHCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008677 PLLOKTPVMQVBIZ-VWLOTQADSA-N 496.567 3.970 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864010931 QNHLZBUQSJXICH-QFIPXVFZSA-N 492.576 3.856 10 10 JHCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864020451 ZIJWPOJPCAYZEM-QKKBWIMNSA-N 462.550 3.528 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4Cl)cn3C[C@@H](C)O)CC2)cc1 1870340849 ZNVXDHCVXIEHTK-HXUWFJFHSA-N 498.023 3.792 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(N(C)Cc5ccccc5)ncnc4n3C)CC2)cc1 1873543175 FQFBZPNBSHCTEC-UHFFFAOYSA-N 470.577 3.576 10 10 JHCE CC[C@H](c1ccc(OC)cc1O)n1nc(C(F)F)c(C(=O)OC)c1I 2079874081 YRYRQXFVIAWELM-SNVBAGLBSA-N 466.222 3.926 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)cc1 2294235490 YAEOMBOGHBOIKS-UHFFFAOYSA-N 476.470 3.622 10 10 JHCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 2297321474 LDAXIOVWSMNPCE-UHFFFAOYSA-N 476.562 3.921 10 10 JHCE COc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 2297332704 ONXMVFWNKQVHLE-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I 2313558522 CTXZKEKCKSFOIX-UHFFFAOYSA-N 496.301 3.660 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(Cn2cnnc2)cc1 2313682758 KBYZYVOCAXLWFK-UHFFFAOYSA-N 487.545 3.588 10 10 JHCE CN(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ccc4c(c3)nnn4C3CCCC3)CC2)cc1 15863286 YXWTXXXKYYQIAW-UHFFFAOYSA-N 474.609 3.781 10 10 JHCE COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCCC(=O)O 16911981 XTHFWJWLCNUANT-GIJQJNRQSA-N 459.501 3.683 10 10 JHCE CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 33398533 MTBLYADAJUVLMR-ZDLGFXPLSA-N 474.516 3.951 10 10 JHCE COc1ccccc1OCC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 62694237 UGQZNYQVQHFHBH-UHFFFAOYSA-N 461.562 3.509 10 10 JHCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(C)cc4F)ncn3)CC2)cc1 65133721 QOUUNKKRRGTLFF-UHFFFAOYSA-N 467.570 3.990 10 10 JHCE CC(=O)Nc1ccc(O)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1 920625777 APYXKEDZQVLMHR-UHFFFAOYSA-N 464.474 3.569 10 10 JHCE COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1 1084201118 KCFBXHBFHDOZRU-UYRXBGFRSA-N 477.517 3.851 10 10 JHCE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705735742 DJUGUMINQBWJFH-UHFFFAOYSA-N 466.561 3.716 10 10 JHCE COc1ccc(CCC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1 1861937525 LAIKYEZGFDMTCI-NDEPHWFRSA-N 487.600 3.843 10 10 JHCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014715 AUYQYFXSHJBVEO-QGZVFWFLSA-N 486.450 3.584 10 10 JHCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864020232 WZEAIAPWSONVNA-HXUWFJFHSA-N 482.968 3.966 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865030131 CXTPHYPYIPPAKM-QHCPKHFHSA-N 488.588 3.936 10 10 JHCE CCCC[C@@H](NC(=O)[C@@H](c1cccnc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867274623 JKNMVNFHLBPFHO-ILBGXUMGSA-N 498.583 3.773 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)c4ccc(C)cc4)s3)CC2)cc1 1871269546 ASNNQNZSFVIHEI-UHFFFAOYSA-N 456.589 3.860 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873168170 LJRFRYJYXVRLIX-HSZRJFAPSA-N 499.567 3.872 10 10 JHCE O=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1CCS(=O)(=O)O 2296729526 VSLHPZMCBDOBRZ-UHFFFAOYSA-N 474.379 3.798 10 10 JHCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)O 2297560449 HTESTHIJMTXEPC-UHFFFAOYSA-N 492.962 3.667 10 10 JHCE CN1CCN(S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(N(C)C)cc2)N3)CC1 13643992 KKBJKUMSEJVIND-SLSDLSHTSA-N 452.624 3.515 10 10 JHCE Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)o2)cc1 20356608 ZGZRYIRQHBPUIH-ISFDWQSPSA-N 453.549 3.648 10 10 JHCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 504757634 OSDYQSLUUNTVAC-CDILPITASA-N 465.509 3.652 10 10 JHCE biogenic CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864012679 GLVOFAJOMXJWBE-HXUWFJFHSA-N 482.968 3.779 10 10 JHCE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864017349 KGSLNZPGUAWETM-OAQYLSRUSA-N 492.576 3.845 10 10 JHCE CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)CCN1C(=O)CSC1=S 1865767943 JBNQXNAFFJSGOR-UHFFFAOYSA-N 479.561 3.689 10 10 JHCE CCCOC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871235724 AWHCHNWLFZEODK-IBGZPJMESA-N 465.550 3.917 10 10 JHCE O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc(C(=O)O)cc1 2451735 RIOJIWQUOZZUOQ-OQLLNIDSSA-N 477.361 3.987 10 10 JHCE CN1C(=O)N=C(O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C1=O 33409549 GLXAOLSTAUCTFM-ZSOIEALJSA-N 459.252 3.658 10 10 JHCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 33674152 UHZKDCBTVCRJKE-OIXOFKMYSA-N 487.628 3.510 10 10 JHCE COc1ccc(N2CCN(c3ncnc(Nc4cc(C)ccc4OC)c3[N+](=O)[O-])CC2)cc1 40583891 MFDKEQCTAPXCNP-UHFFFAOYSA-N 450.499 3.781 10 10 JHCE O=C(NN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S)c1ccc(Br)cc1 40940475 HJSVFQSNAYSFEY-ZSOIEALJSA-N 480.321 3.609 10 10 JHCE O=C(NCc1ccc(N2CCOCC2)cc1)c1nnn(-c2ccc(Br)cc2)c1C1CC1 109772736 AHUKJTUABMRQCI-UHFFFAOYSA-N 482.382 3.674 10 10 JHCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cc(C(=O)O)ccc2C(=O)O)C1=O 210494494 YDYAWZHNZBPSNH-BUHHDHKDSA-N 482.539 3.869 10 10 JHCE C[C@@H](Sc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 749751011 CCHYNPYUJPPGCE-CQSZACIVSA-N 465.552 3.985 10 10 JHCE CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 1083849884 KIDNMJYLOPJMDQ-GDNBJRDFSA-N 459.296 3.831 10 10 JHCE CC(=O)c1cc(F)cc(CN(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1O 1175839955 YHXMTKSEEMWLAN-UHFFFAOYSA-N 458.530 3.718 10 10 JHCE CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1858595373 AYHRIKWQMABVEH-YXVQUMHESA-N 460.371 3.864 10 10 JHCE COc1cccc(OCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)c1 1860591474 UQHRDVRTSOKXFF-UHFFFAOYSA-N 498.535 3.727 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(C(C)C)s2)sc(C)c1-c1ccc(C)cc1 1860765470 MIHLNLUADPKERD-UHFFFAOYSA-N 458.565 3.793 10 10 JHCE CCCC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862290862 BKZVHJYFXCISNG-OAQYLSRUSA-N 488.972 3.894 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027015 DATKFIRZMBDFGZ-MWTRTKDXSA-N 474.561 3.604 10 10 JHCE C=Cc1ccccc1OCC(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1869051256 SEIKRKZXHLGSQF-MUUNZHRXSA-N 485.584 3.923 10 10 JHCE CCCOc1ccc(Nc2nc(=NCC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871725089 SLYYSVAXJVDDTO-UHFFFAOYSA-N 463.586 3.593 10 10 JHCE CCCn1c(C(=O)NCc2cccnc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873572953 PKOUMRHVYFOXDQ-UHFFFAOYSA-N 485.592 3.502 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)Cc3ccccc3)CC2)cc1 1874643535 ZJPFYUUQJFAGBZ-NDEPHWFRSA-N 496.611 3.795 10 10 JHCE C[C@H]1CN(C2=NC(=O)C(=C3C(=O)N(Cc4ccc(F)cc4)c4ccccc43)S2)C[C@@H](C)O1 2040394717 XIDWRBAQWAURAF-GASCZTMLSA-N 451.523 3.822 10 10 JHCE OCc1nn(Cc2cccc(C(F)(F)F)c2O)c(C(F)(F)F)c1I 2079166044 XRABWKJWGYGKOP-UHFFFAOYSA-N 466.119 3.772 10 10 JHCE CCN(CCc1c(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[nH]c2ccccc12)C(C)=O 2296189493 ZVTPUMVQKYERSU-UHFFFAOYSA-N 478.936 3.899 10 10 JHCE C[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1)C(=O)O 2314929571 ONXLELVFKASUII-NSHDSACASA-N 462.936 3.738 10 10 JHCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@H]32)cc1OC 14479323 MOCWPKKMCMHUQS-GLDPYIMESA-N 456.564 3.551 10 10 JHCE COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@@H]3C=CC[C@H]32)c1O 20694603 ALYBGVKIDFUDIF-GDEXEMPNSA-N 456.564 3.685 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(N3CCOCC3)C2=O)cc1 35518878 PIDSSMCYIXBBMM-RCCKNPSSSA-N 478.599 3.996 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nc5ccc(OC)cc5s4)C3)CC2)cc1 90509420 JZMIUWQWEKKSGU-SFHVURJKSA-N 466.607 3.879 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)ccc1OCCC(=O)O 210466058 QFEIWKFENVEOSJ-PDGQHHTCSA-N 490.534 3.624 10 10 JHCE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)c1 526285670 BMLNOVXFPBZINO-FQEVSTJZSA-N 481.482 3.790 10 10 JHCE O=C(Nc1cccc(C(=O)N2CCOCC2)c1)Nc1cccc2c1C(=O)c1ccccc1C2=O 586717861 OKPBGCNGCDRCDH-UHFFFAOYSA-N 455.470 3.578 10 10 JHCE O=C1/C(=C/c2cccnc2)c2ccc(Cl)cc2N1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1614978104 DJQOJITVIOADLR-QDHSESLQSA-N 458.949 3.861 10 10 JHCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nnc(CC)s1 1705574733 LZGVIIGYRIKCAT-UHFFFAOYSA-N 455.591 3.888 10 10 JHCE CC[C@H](Oc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c1)C(=O)O 1772762043 GNXWWJZBICNFOK-BBTWOBHYSA-N 457.529 3.956 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc2)c1 1860921324 STYHZLFJGYLJLT-UHFFFAOYSA-N 473.533 3.876 10 10 JHCE COc1ccc(OC)c2c(=O)cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)[nH]c12 1866540366 TVYBXUVVZSODMQ-UHFFFAOYSA-N 454.438 3.573 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)C3CCCC3)CC2)cc1 1868892045 YHKLFXSHWHYAFG-RLWLMLJZSA-N 463.622 3.898 10 10 JHCE CCCCN(C)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC 1873546004 YCECGJBIPVPELI-UHFFFAOYSA-N 450.587 3.659 10 10 JHCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCCCC3)ncnc21 1873547841 WGZZVMHFXULXAU-UHFFFAOYSA-N 462.598 3.803 10 10 JHCE O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1 2296565680 GDYMLGRDHRHXGG-UHFFFAOYSA-N 460.417 3.769 10 10 JHCE CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNNc1nc(O)c2cc(Br)ccc2n1 2297511646 VFIXQAUXAHQQTQ-UHFFFAOYSA-N 473.718 3.974 10 10 JHCE CCC[C@H](NC(=O)C=Cc1ccc(OCC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2330609669 BNVOWFLGDPGMGH-DEOSSOPVSA-N 495.620 3.749 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)[C@@H]3Cc4ccccc4N3C(=O)c3ccccc3)CC2)cc1 15773970 KUTUREGBOLGWQW-NDEPHWFRSA-N 498.627 3.595 10 10 JHCE COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3C(=O)O)SC2=S)c(OC)c1 16906188 CDUKPFNOFMCFLE-CXUHLZMHSA-N 461.517 3.825 10 10 JHCE CC(/C=C1\SC(=S)N([C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)C1=O)=C\c1ccccc1 101154656 IGIFIVLHNJXASQ-LJWICLCPSA-N 450.541 3.872 10 10 JHCE O=C1[C@@H]2[C@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 104734205 LWGSRAMWSPNCKD-FGAOFWEESA-N 494.459 3.631 10 10 JHCE CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4O)N[C@](CC4CCCCC4)(C(=O)O)[C@@H]3C2=O)cc1 248381993 VOUHYHJTGIEAPZ-TVQWTUMOSA-N 490.556 3.839 10 10 JHCE CCOC(=O)CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(C)cc1 586199157 LPXPWNCPTDTRRF-UHFFFAOYSA-N 477.538 3.919 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc2c(c1)OCO2 1084069978 FEHLXPJUYLIKJS-ATVHPVEESA-N 476.485 3.965 10 10 JHCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1conc1COC 1705575257 ZSUBLDIYTVVMNE-UHFFFAOYSA-N 454.534 3.608 10 10 JHCE COc1cc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)ccc1OCc1ccccc1 1858592678 UGUPLEYEUZOZBM-QUYZQLMHSA-N 487.555 3.793 10 10 JHCE COc1ccc([C@@H](CN2C(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)N(C)C)cc1 1858593937 FAUJBWJOILEGEM-HDZGYNCQSA-N 489.575 3.822 10 10 JHCE CC[C@@](C)(NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862102458 ZLAUGHLTMCOILL-HHHXNRCGSA-N 477.609 3.942 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCCOc3cc(C)c(Cl)c(C)c3)CC2)cc1 1862222249 IOQAKSGKXUXZLU-FQEVSTJZSA-N 488.028 3.978 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864013876 HWTLCMLWQROOEG-JOCHJYFZSA-N 492.576 3.676 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864014283 RBOHWYRKCXCECH-QFIPXVFZSA-N 476.577 3.629 10 10 JHCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865034039 NUCHKIDLTKGSEH-QGZVFWFLSA-N 488.466 3.686 10 10 JHCE CCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(Cc3ccccc3)n2)CC1 1867945279 JKEZKVLFMXHSNH-UHFFFAOYSA-N 472.637 3.545 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C4CCC4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869971124 YAJSPNBBLWKZSL-UHFFFAOYSA-N 466.973 3.995 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4Cl)cn3C[C@H](C)O)CC2)cc1 1870340848 ZNVXDHCVXIEHTK-FQEVSTJZSA-N 498.023 3.792 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873163921 CLRZYHGIFGUKES-UHFFFAOYSA-N 456.590 3.916 10 10 JHCE CCOC(=O)c1ccc(CNC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1 1873976965 WXJYMQPTAPRHFT-UHFFFAOYSA-N 452.466 3.821 10 10 JHCE O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179288 WOKKVUOIEOOEOE-UHFFFAOYSA-N 469.884 3.978 10 10 JHCE COCCCN1C(=O)C(=Cc2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 2296541864 BOIXKDCOXJAIRB-IRXDYDNUSA-N 486.663 3.723 10 10 JHCE Cc1cccc2cc(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2314650563 ONAJOLKZZFMODI-LJQANCHMSA-N 496.658 3.625 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc(C(=O)O)cc1 2314831198 FRAFTTHABKQDLA-UHFFFAOYSA-N 471.516 3.913 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330073440 BPXQHGLHANAZIJ-NDEPHWFRSA-N 499.611 3.880 10 10 JHCE CC(=O)NCCc1c(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)[nH]c2ccccc12 38162813 DMCMZKXVYMMBIT-FOWTUZBSSA-N 450.495 3.657 10 10 JHCE CN1C(=O)C(=Cc2ccc(Sc3nc4ccccc4c(=O)n3-c3ccccc3)o2)C(=O)N(C)C1=O 59391687 LDZWBDGVRNTLJG-UHFFFAOYSA-N 486.509 3.564 10 10 JHCE CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254605373 ALZCHYCYAJVRQL-DEOSSOPVSA-N 475.614 3.561 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Br)cc4cccnc34)c2)CC1 1537423015 FXFGVLZPJCQGEN-UHFFFAOYSA-N 453.340 3.918 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(N(C)C)cc4)n4ccccc34)CC2)cc1 1858235025 CPWZAINICSNTGI-UHFFFAOYSA-N 498.587 3.624 10 10 JHCE COc1ccccc1C(=O)N1CCN(c2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2)CC1 1860866412 ZKJHIWVGEROXOP-UHFFFAOYSA-N 458.562 3.976 10 10 JHCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864020553 DKZLKGZKVWVTQO-HSZRJFAPSA-N 482.540 3.972 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)CC2)cc1 1866334243 KRWVXTVNPVRACX-SANMLTNESA-N 473.573 3.882 10 10 JHCE Cc1cccc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867823276 UVFREQAQTQLWHD-XMMPIXPASA-N 450.627 3.913 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc5cc[nH]c5c4)[nH]3)CC2)cc1 1871589631 CSRYQLLCWNIGDO-UHFFFAOYSA-N 486.624 3.734 10 10 JHCE CC(=O)NCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2cccc(Cl)c2)C1=O 1873166947 MIWOCIOOPMWJLK-UHFFFAOYSA-N 490.991 3.753 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2296542706 BQFMMMAYIZCYJD-HUUCEWRRSA-N 458.609 3.594 10 10 JHCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296543475 FPFANAYKVMNJPR-HNNXBMFYSA-N 482.587 3.588 10 10 JHCE CN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S 2296705006 DNDZVBLASZGHOG-UHFFFAOYSA-N 498.033 3.506 10 10 JHCE CN1C(=O)C(=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c2cc(Br)ccc21 2314766877 CJFJHWWDSGMYBE-HNNXBMFYSA-N 489.372 3.823 10 10 JHCE Cc1ccc(C)c(-c2no[nH]c2=NC(=O)CN2C(=O)C(=Cc3ccccc3)SC2=S)c1 2314817685 PSWNZFMBFKLHOF-UHFFFAOYSA-N 450.545 3.615 10 10 JHCE COc1ccc(O)c([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1 8587497 GCESJZLMYRIZML-QHCPKHFHSA-N 480.524 3.924 10 10 JHCE aggregator O=C(CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15038247 NANFLWHRBUIUDY-WJDWOHSUSA-N 458.477 3.733 10 10 JHCE CCOC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 34851789 MAVIGPCLSOQVET-FMQUCBEESA-N 452.557 3.989 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(-c4ccco4)on3)c3ccco3)CC2)cc1 49486420 VZDRSNDQEIJFIC-OAQYLSRUSA-N 462.506 3.830 10 10 JHCE COc1ccc2[nH]cc(CCNC(=O)CN3C(=O)/C(=C/c4cccs4)SC3=S)c2c1 95926298 KCBSZBSJJVMASB-ZDLGFXPLSA-N 457.602 3.798 10 10 JHCE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 238923540 OOSUKMUSNAOKAI-KZNAEPCWSA-N 498.674 3.865 10 10 JHCE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(Cl)c3O)cc2)cc1 1558756823 CUFXQURUHYZSKU-UHFFFAOYSA-N 458.923 3.979 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865027634 OTMOCBXABGIPDG-IVZQSRNASA-N 460.534 3.688 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865034971 ILPYUOCABMSGKC-OAQYLSRUSA-N 462.550 3.620 10 10 JHCE CCC[C@H](NC(=O)c1ccc2oc(O)nc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867128623 IIXGLVDDZMOKGD-IBGZPJMESA-N 483.480 3.846 10 10 JHCE CC(=O)NCCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170492 BQSVLFIMJHTHCN-UHFFFAOYSA-N 490.991 3.753 10 10 JHCE COCCN1C(=O)C(Nc2cccc([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420536 PJYMUDXQWXAERN-UHFFFAOYSA-N 460.490 3.841 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4ccncc4)c4ccccc34)[C@H]21 1873858325 RYGZYIULTUOFOD-MHZLTWQESA-N 465.557 3.890 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 1892143320 WDMSWGXIJBPBRR-UHFFFAOYSA-N 469.519 3.907 10 10 JHCE O=C1C(=Cc2cccc(Br)c2)SC(=S)N1CC(=O)N(CCO)c1ccccc1 2053497947 SXZQKVQCXALDMG-UHFFFAOYSA-N 477.405 3.676 10 10 JHCE CCCN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S 2296545473 UMAOLLLRFPHFBM-UHFFFAOYSA-N 460.625 3.841 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1ccccc1F 2297345643 OIAOIJNCRZWQCR-UHFFFAOYSA-N 487.582 3.881 10 10 JHCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(F)cc12 2313682347 ALLVJGIXZBPOPM-UHFFFAOYSA-N 452.461 3.818 10 10 JHCE COc1cc(C=C2SC(=S)N(CCc3ccc(O)cc3)C2=O)ccc1OCCC(=O)O 2314933171 UTAALMJDNSPQKF-UHFFFAOYSA-N 459.545 3.698 10 10 JHCE N=C1/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 20356346 NVSXHBRQCWARPH-SPXSAIPKSA-N 475.530 3.667 10 10 JHCE CCOC(=O)c1c(CS(=O)(=O)c2ccccc2)n(C)c2cc(-c3cccnc3)c(O)c(CNC)c12 85392408 FSXTWCLXGRVASJ-UHFFFAOYSA-N 493.585 3.816 10 10 JHCE CC(=C/c1ccccc1)/C=C1\SC(=S)N([C@@H]2CC(=O)N(CCCCCC(=O)O)C2=O)C1=O 96834576 KRBIUBQLRKODFF-GWKWHCQASA-N 472.588 3.607 10 10 JHCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)cc2)SC1=S 1858595798 IIOIIEZAGYJDMP-STWLCTNKSA-N 464.609 3.634 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864007768 UQJIIYAJQCXFRM-JOCHJYFZSA-N 460.534 3.735 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864010585 OGBHUOQUROXRHK-OAQYLSRUSA-N 462.550 3.703 10 10 JHCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030654 OAOZXKKGVZFPPO-JOCHJYFZSA-N 494.567 3.997 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865032836 MHRSJCZWZPQCCV-JOCHJYFZSA-N 474.561 3.612 10 10 JHCE COc1cc(C)c2[nH]cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866428821 KSILFWOZEMWKDF-XMMPIXPASA-N 462.594 3.868 10 10 JHCE CCOCCCN1C(=O)C(NCCCCN(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167644 QOBPBTJMKPEMDN-UHFFFAOYSA-N 466.626 3.532 10 10 JHCE CCN1C(=O)C(=Cc2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC1=S 2293648520 MXHIENAJNZYDFX-UHFFFAOYSA-N 450.519 3.584 10 10 JHCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(=O)n2c1 2296541929 OOSUKMUSNAOKAI-FGTMMUONSA-N 498.674 3.865 10 10 JHCE N=C1C(=Cc2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N=C2SC(c3ccccc3)=NN12 2297351372 PCSQDEVKQOCIBM-UHFFFAOYSA-N 472.280 3.730 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CC)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2297500119 KWRXBAIDAWZRLA-UHFFFAOYSA-N 494.572 3.982 10 10 JHCE COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1OC 8616606 FSRBGPMOWGPPGS-DEOSSOPVSA-N 481.618 3.852 10 10 JHCE CCOc1cc(/C=C2/SC(Nc3ccc(OC)cc3OC)=NC2=O)ccc1OCC(=O)O 16916169 MLUOHCIWNVOFFC-VXLYETTFSA-N 458.492 3.648 10 10 JHCE CCN(CC)c1ccc(CN(C(C)=O)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 37423724 FGZYTIZQSZZNHG-UHFFFAOYSA-N 473.595 3.770 10 10 JHCE COc1ccc(N2CCN3c4ccccc4C[C@H](C(=O)NCCc4ccccc4OC)[C@@H]3C2)cc1 96456833 NZBGJEUKRSYGNW-BDYUSTAISA-N 471.601 3.930 10 10 JHCE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 213168407 SCAKKTZZWIZXFS-LGMDPLHJSA-N 497.554 3.561 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)c3ccccc3)CC2)cc1 1861910536 UVJYDNBOBBMGCZ-VWLOTQADSA-N 488.544 3.732 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCc3ccc(C)cc3)CC2)cc1 1861942621 ORQVXVSJSGCXNZ-DEOSSOPVSA-N 469.651 3.523 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)CCc3ccc(Cl)cc3)CC2)cc1 1861949831 QQVXADFMDIHLOJ-QFIPXVFZSA-N 474.026 3.532 10 10 JHCE NC(=O)C1CCN(C2=NC(=O)C(=Cc3ccc(-c4cccc(Br)c4)o3)S2)CC1 2053496625 DNBOVEAHBDEJHE-UHFFFAOYSA-N 460.353 3.877 10 10 JHCE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)c1 2313564918 GJFWEHNMDINPMF-UHFFFAOYSA-N 474.311 3.707 10 10 JHCE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)C2=O)cc1 2314832454 HKGSQBTYBDTENO-INIZCTEOSA-N 458.948 3.882 10 10 JHCE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N2C)cc1 3657912 LYSLVRLJGHASTR-SVBPBHIXSA-N 485.584 3.963 10 10 JHCE COc1cccc(-c2n[nH]c(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1 59806273 JKPZECAXTZAKCS-UHFFFAOYSA-N 470.510 3.987 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(Br)c1 1084357536 VUNZSCOXSATMLZ-ZSOIEALJSA-N 450.086 3.878 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc([C@@H]3CCCO3)s2)sc(C)c1-c1ccc(C)cc1 1860766490 BKIQBOYNVZDNOV-AWEZNQCLSA-N 486.575 3.521 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864023336 YGJAUQNEUIVGDR-MRXNPFEDSA-N 480.487 3.867 10 10 JHCE CC[C@@H](NC(=O)/C(C)=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868751234 HPLOIFDWHABXCO-YJCCFKNTSA-N 455.986 3.996 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OC(C)=O)c4)n(C(C)(C)C)n3)CC2)cc1 1869970205 FRICFNRDHYBRGX-UHFFFAOYSA-N 492.580 3.546 10 10 JHCE CCCCn1c(C(=O)NCc2ccccn2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873584324 RNCGDHWCWAIMGQ-UHFFFAOYSA-N 499.619 3.892 10 10 JHCE O=C1C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2040515959 PRMKPPASLZDVRX-UHFFFAOYSA-N 472.661 3.782 10 10 JHCE O=C(O)CCN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2293034897 CYMLFEGTSNSAJQ-UHFFFAOYSA-N 458.948 3.933 10 10 JHCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(N5CCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297352703 NIBMPWMGCOYFPI-UHFFFAOYSA-N 466.479 3.536 10 10 JHCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(Cc4ccco4)C3=O)o2)cc1 2297366627 CYQQRRVLIPOCHA-UHFFFAOYSA-N 450.472 3.543 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F 2297468418 GTQUVYKOEQVKRG-UHFFFAOYSA-N 478.553 3.865 10 10 JHCE COc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)N4CCCC4)c4ccccc34)C(O)=NC2=S)c1 33332149 FTQTWTIFUZPEDJ-BKUYFWCQSA-N 488.569 3.944 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)ccc1O 103040775 XCPZRGOQDZVNTD-YBFXNURJSA-N 482.539 3.737 10 10 JHCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S 210753640 SLDNNODRPYSDSA-QGOAFFKASA-N 480.608 3.621 10 10 JHCE CCOC(=O)C(/N=N/c1ccc(S(=O)(=O)N[C@H]2N=CCC(C)=N2)cc1)=C(\O)c1ccccc1 1616046016 MFUFTRAEVVGODW-HEXMPAQFSA-N 469.523 3.758 10 10 JHCE CCC[C@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862258073 UDIYFMYTSLURMU-VWLOTQADSA-N 467.610 3.977 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1864015514 AWHJZYJLFIQRPE-FQEVSTJZSA-N 462.550 3.982 10 10 JHCE CCC1=NN(Cc2cccc(F)c2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665197 GNBQZCWQVULTDK-CJLVFECKSA-N 467.541 3.737 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccs4)n(C(C)(C)C)n3)CC2)cc1 1869970811 QPHNWPSHRWFPTL-UHFFFAOYSA-N 454.600 3.611 10 10 JHCE CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 1871343036 YOJJDMDJBCFDGC-UHFFFAOYSA-N 473.576 3.909 10 10 JHCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccco2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2053493737 DXDXQYAGVNMLLN-MRXNPFEDSA-N 471.585 3.521 10 10 JHCE COc1ccc([C@@H](C(C)C)n2nc(C(F)F)c(CO)c2I)c(O)c1 2079873113 KIGSGQFNHXBLAP-CQSZACIVSA-N 452.239 3.877 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccco4)n(-c4ccccc4)n3)CC2)cc1 2331396404 UVGMQEPYURTJOZ-UHFFFAOYSA-N 470.533 3.847 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCc4sc(NC(=O)c5ccc(F)cc5)nc43)CC2)cc1 8979688 UGLUARDCIUQFOQ-FQEVSTJZSA-N 480.565 3.922 10 10 JHCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1 16160610 OGFHVJILYHGTAJ-MOSHPQCFSA-N 485.363 3.693 10 10 JHCE CCOC(=O)c1ccc(NC2=NC(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)S2)cc1 16912281 FXWKEUBICHWOPK-CPNJWEJPSA-N 470.503 3.808 10 10 JHCE O=C1/C(=C\c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 23199932 GQICLGQYGMSVHW-XTFSCAMASA-N 492.626 3.729 10 10 JHCE CCOCCCN1C(=O)/C(=C\c2c(NCc3ccco3)nc3c(C)cccn3c2=O)SC1=S 33362553 RXVHQZLQHUKZKA-QGOAFFKASA-N 484.603 3.836 10 10 JHCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCO)nc3c(C)cccn3c2=O)SC1=S 33492867 ISVRNAXCNLBNNL-OKSBFYSISA-N 474.652 3.825 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C 35963217 XCHFLLQBALVFPP-NRFANRHFSA-N 474.005 3.813 10 10 JHCE COc1ccc2c(CCNC(=O)CN3C(=O)/C(=C\c4ccc(F)cc4)SC3=S)c[nH]c2c1 97595339 AQTIXNAXSHPNTE-KEBDBYFISA-N 469.563 3.876 10 10 JHCE O=C1c2cccc(I)c2C(=O)c2c(I)cccc21 136589315 AAWQONPYXVKYAX-UHFFFAOYSA-N 460.008 3.671 10 10 JHCE O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 726708087 LBQRNXZJNKREAG-FQEVSTJZSA-N 465.529 3.802 10 10 JHCE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCSc1nccs1 1705669185 FPNCEATYPUKQSM-YADHBBJMSA-N 461.657 3.950 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(Cl)s3)CC2)cc1 1862247296 MCHMSWIHDFNJLP-QGZVFWFLSA-N 468.044 3.610 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864009218 CIQLVROWSGZRID-HSZRJFAPSA-N 489.576 3.911 10 10 JHCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864013681 YXKITUWHRYHEOX-OAQYLSRUSA-N 494.979 3.922 10 10 JHCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864019417 YGDBEYXGVXSRAP-HXUWFJFHSA-N 482.968 3.778 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019981 SQJHLGWNBQLKAV-QHCPKHFHSA-N 488.588 3.967 10 10 JHCE CCOC(=O)[C@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)C1 1867968414 RRSYUIKLRCDFHP-FQEVSTJZSA-N 481.641 3.889 10 10 JHCE COc1ccc([C@H](C(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1868150981 MTHMWQMGBDRKPV-XMMPIXPASA-N 470.525 3.965 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@H]3CCCC[C@@H]3C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873169542 CPUHEFACNYKIRG-CPJSRVTESA-N 490.648 3.675 10 10 JHCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cccc21 1874179108 NWEFBVMTZSGKRB-UHFFFAOYSA-N 474.538 3.501 10 10 JHCE CCc1nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c(I)c1C(=O)O 2079978277 YHWUTMPWBMFYFP-MRXNPFEDSA-N 456.280 3.852 10 10 JHCE O=C(CN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc(O)cc1 2314827795 MMMOCUUAHPQPFR-UHFFFAOYSA-N 465.350 3.700 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=N)N21 20206919 MYADEHHPYAQHLK-OOEDSJJISA-N 469.592 3.722 10 10 JHCE Cc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)c2C)c1 46882353 DBBNXXSWYPMOAV-RUZDIDTESA-N 460.490 3.961 10 10 JHCE CCC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861947164 RAKJQRFRIWZCRW-WYIJSASQSA-N 455.986 3.996 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3OCC(C)C)CC2)cc1 1862055015 FSFCFXLHTWISSL-HSZRJFAPSA-N 483.634 3.594 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864011737 KSYMAEHZXLODPQ-QHCPKHFHSA-N 492.551 3.934 10 10 JHCE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866821999 PPPODLMYBHHKSW-HZPDHXFCSA-N 458.489 3.923 10 10 JHCE CC[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867889230 VCTSRHRIDOPPAO-UIOOFZCWSA-N 479.669 3.670 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](CO)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992477 FGZFCFZSVXCYOP-NRFANRHFSA-N 489.620 3.696 10 10 JHCE CCC[C@H](NC(=O)CCCc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868951773 PNPVEDXVNKRQML-VWLOTQADSA-N 451.611 3.960 10 10 JHCE Cc1ccc(CN(C)CC(=O)CCCN2C(=O)c3ccccc3C2=O)c(O)c1Br 2352944481 INXVJWIXWZLKDS-UHFFFAOYSA-N 459.340 3.540 10 10 JHCE Cc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)c1 20356339 NIVBEZGDRHSCOQ-QCYUAWMTSA-N 459.531 3.887 10 10 JHCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(N5CCCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20356600 GEXWULLNRMXJHQ-GESHDMKESA-N 480.506 3.926 10 10 JHCE O=C(c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCCc2ccccc21 23994022 WEMSETXIAZQSDJ-NRFANRHFSA-N 454.530 3.911 10 10 JHCE CCn1c(N2CCOCC2)c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 33474826 UHOFOBIEODMRNG-FYJGNVAPSA-N 494.642 3.595 10 10 JHCE COCCN1C(=O)/C(=C/c2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 33509057 JANJGKRSLBBXEB-AQTBWJFISA-N 472.636 3.841 10 10 JHCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cccc(OCC)c1O)N2 65298432 LDKCCGKCGHCEGH-FQEVSTJZSA-N 481.549 3.992 10 10 JHCE biogenic COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3ccc(OCC(F)(F)F)cc3)CC2)cc1 726241644 BEODEUBETCSOOO-GOSISDBHSA-N 480.531 3.819 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864009302 DQVBNFQZZBZQKU-CMJOXMDJSA-N 483.528 3.559 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027842 MGXVINYCOKQTRU-QMHKHESXSA-N 474.561 3.853 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)NC[C@@H]1CCCO1 2053622308 UBLHJULFIGQXEU-AWEZNQCLSA-N 456.536 3.565 10 10 JHCE CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O 2296714242 NFOAUEPKTNSGHK-UHFFFAOYSA-N 480.615 3.887 10 10 JHCE CCCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2314414754 LJTLJBBZVHQVRT-HNNXBMFYSA-N 458.609 3.595 10 10 JHCE CC(C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2533231 GBGZITBRBVYVBE-VHEBQXMUSA-N 455.536 3.791 10 10 JHCE CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2533417 BHZAZPDAMOTPEU-ISLYRVAYSA-N 457.964 3.917 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(C)=O 34903333 CXTOIVUJZDBVSP-ZGWBDVDWSA-N 466.534 3.687 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)Nc3cccc(SC)c3)c3ccco3)CC2)cc1 38619737 ANCMPPBQIOVWBC-QHCPKHFHSA-N 494.617 3.628 10 10 JHCE Cc1ccccc1C(=O)NN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 40846641 MECGXSNWVJCRHN-PFONDFGASA-N 474.361 3.626 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cccs3)c(CCC(=O)O)s2)c1 1858070076 FHMAQFSJCNAINM-UHFFFAOYSA-N 454.551 3.707 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)Cc4cccc(C)c4)cn3)CC2)cc1 1858433012 MKWHDFGJBKTNNN-UHFFFAOYSA-N 452.580 3.667 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(F)c(F)c3F)c3ccccc3)CC2)cc1 1862271149 JDLZFMUETMQVEV-DEOSSOPVSA-N 483.490 3.932 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@H]2c1ccc(O)c(O)c1 1864022554 ONKRCZNAAIBOBG-INIZCTEOSA-N 480.487 3.723 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865030707 OZDHAUTUCBRVNS-KKSFZXQISA-N 468.598 3.998 10 10 JHCE CC[C@@H](NC(=O)CCNc1ccccc1OC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866889077 HTDMWHYSXLAIQQ-HXUWFJFHSA-N 485.540 3.806 10 10 JHCE CCOC(=O)CN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(C)cc2)n1 1867964736 PQFMFWKLUCGMQG-UHFFFAOYSA-N 475.593 3.787 10 10 JHCE CCOCCCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871014536 RVQDEZKEEGLMSY-UHFFFAOYSA-N 464.566 3.755 10 10 JHCE CNC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016644 QCAVOXPFBFOYMM-QHCPKHFHSA-N 462.550 3.508 10 10 JHCE COc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(OC)c1 1871343349 FODRAWWMPVYSNY-UHFFFAOYSA-N 476.576 3.968 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccncc4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871516581 ZQVUFUDHHADRMG-UHFFFAOYSA-N 486.555 3.519 10 10 JHCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(CC)CC)C1=O 1873167395 FKXLIBRGFYHMJF-UHFFFAOYSA-N 493.696 3.837 10 10 JHCE COc1ccc(Br)c(CN[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(F)F)c1O 2279121194 WLTYBLHXAZGDOM-CQSZACIVSA-N 451.308 3.898 10 10 JHCE COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c1C 2296931569 WEMREPMWYHASFW-UHFFFAOYSA-N 452.363 3.889 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1 2297346285 RVCZTSQWCKMPRI-UHFFFAOYSA-N 493.364 3.720 10 10 JHCE CCOC(=O)COc1ccc(C=C2SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 2297350020 MTBLYADAJUVLMR-UHFFFAOYSA-N 474.516 3.951 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1 15047052 WWVZKIAFBRXOJB-CQLSMYGBSA-N 486.571 3.806 10 10 JHCE CCOc1cc(/C=C2/SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCC(=O)O 16916190 SLIRBPDQPUUOBC-YBFXNURJSA-N 455.492 3.590 10 10 JHCE CCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 39989929 KWMIEKUURXZNQQ-STZFKDTASA-N 494.642 3.676 10 10 JHCE Cc1cc(C(=O)CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)n1-c1ccc(F)cc1 62694790 KLRKCMOKOXPNBP-UHFFFAOYSA-N 469.582 3.564 10 10 JHCE Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)N4CCCCC4)cc3)SC2=S)cc1 206928955 WFKJFRKCWIHVSR-QNGOZBTKSA-N 495.626 3.933 10 10 JHCE O=C(CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 210496117 OSZFTYQDZCWIOZ-VIZOYTHASA-N 480.470 3.532 10 10 JHCE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)n1-c1ccccc1F 248108798 QATVTIFIRTXWLY-UHFFFAOYSA-N 459.518 3.519 10 10 JHCE C=CCCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705812262 VCGLKJSUEXUVOM-UHFFFAOYSA-N 489.668 3.965 10 10 JHCE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862297230 BTULBEMAUFFBST-JOCHJYFZSA-N 488.972 3.894 10 10 JHCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864011072 YVXLYCWQXYUJTK-JOCHJYFZSA-N 462.550 3.578 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1865027790 LDJHPUAOTNDVCZ-CMJOXMDJSA-N 490.560 3.696 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 1868902599 IVEGYIBWHZQDDZ-FCEKVYKBSA-N 483.612 3.875 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)CC(C)C)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970638 UYFIGKSSPOZCCK-UHFFFAOYSA-N 464.570 3.596 10 10 JHCE CCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870684157 OJNQGTJNWVIRJX-UHFFFAOYSA-N 478.549 3.686 10 10 JHCE CC(C)Cn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871259508 OCVKAWOWRRNCER-UHFFFAOYSA-N 478.593 3.737 10 10 JHCE COC(=O)c1cccc(N)c1NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 2140773957 KDDRSGGHWVTLTP-UHFFFAOYSA-N 466.579 3.666 10 10 JHCE COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C 2296110702 WXICQOMXGQOLDM-UHFFFAOYSA-N 452.363 3.889 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)c1 2296539447 YWDQBNALHQJMLS-QGZVFWFLSA-N 493.610 3.731 10 10 JHCE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 2297346453 GUGKSKZPXCBETM-UHFFFAOYSA-N 487.519 3.502 10 10 JHCE CCOc1cc(C=C2SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1OCC(=O)O 2314932513 NIAZGKPRKKPEBD-UHFFFAOYSA-N 472.544 3.913 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCCC(=O)O 2314933895 DYKUEPNWKMBYOS-UHFFFAOYSA-N 486.571 3.793 10 10 JHCE CCCOc1cccc(C=C2SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 2323840799 XMOHYIDAYGRNIF-UHFFFAOYSA-N 462.618 3.567 10 10 JHCE Cc1cc(C(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)c(C)n1-c1ccc2c(c1)OCO2 13115081 CVMCDUMSFIAIDJ-JOCHJYFZSA-N 484.512 3.650 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cnc(-c4ccc(F)c(F)c4)s3)cc2)CC1 1138228978 QKJMIHIMGIVHDH-UHFFFAOYSA-N 456.518 3.687 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc(OC)c(OC)c4)n4ccccc34)CC2)cc1 1858347208 VXTKKFBQKKOPDP-UHFFFAOYSA-N 472.545 3.990 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(-c4ccc5c(c4)OCCO5)n4ccccc34)CC2)cc1 1858347862 BPMDQQCMSPQCNM-UHFFFAOYSA-N 470.529 3.744 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862204595 HORTULNSIZVQLG-OFVILXPXSA-N 479.621 3.926 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864015488 ALPYJSWKGJAFQH-NRFANRHFSA-N 486.503 3.648 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864020362 BZVOEKULUOPQJU-NRFANRHFSA-N 462.550 3.586 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1868756723 VMZYHXBSEKSGNI-QFIPXVFZSA-N 494.617 3.551 10 10 JHCE CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl 2313559205 UANPIVUIGQISJG-UHFFFAOYSA-N 497.331 3.906 10 10 JHCE COc1ccc(N2CCN(C3=C(C(=O)Nc4ccc(F)cc4)S(=O)(=O)c4ccccc43)CC2)cc1 15019227 ZMXPRCLMPNHHDK-UHFFFAOYSA-N 493.560 3.751 10 10 JHCE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=N)N12 96459361 DRJKVACDYYUVCJ-SUIAZJLOSA-N 472.573 3.702 10 10 JHCE C=C(Cl)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1705745636 LWANGBYEPUBTIH-UHFFFAOYSA-N 489.045 3.623 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)CCCc4ccccc4)cn3)CC2)cc1 1858435294 RRSCHSLFXGIRLV-UHFFFAOYSA-N 466.607 3.791 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864010278 RDQRCTIUYMDNES-OYHNWAKOSA-N 462.550 3.831 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](CC(C)C)c3ccc(F)cc3)CC2)cc1 1868935723 LHDFCTIARUWUNY-OAQYLSRUSA-N 455.574 3.819 10 10 JHCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3CCCC3)ncnc21 1873551911 CRDZAJNIXMRBRU-UHFFFAOYSA-N 462.598 3.803 10 10 JHCE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)C2)cc1 1892096380 FJEGGFBOVYOZBU-FIXSFTCYSA-N 467.635 3.701 10 10 JHCE COc1cccc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1O 2084899390 RVASJKPCGOVRHD-UHFFFAOYSA-N 453.580 3.689 10 10 JHCE CCOc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)cc1 2294204836 IVDUBLMHCXIYCS-UHFFFAOYSA-N 474.380 3.745 10 10 JHCE O=C(O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc3noc(-c4ccccc4)c3c2)SC1=S 2314489835 VUJBBJWWEVDXJW-OAHLLOKOSA-N 454.485 3.624 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)cc1 2314831770 RPQJVLBHWPMSOF-UHFFFAOYSA-N 486.571 3.895 10 10 JHCE C[C@H](NC(=O)CCCCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)C(=O)O 2314837496 SWSYHEVRUMICSC-LBPRGKRZSA-N 485.425 3.800 10 10 JHCE O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 2323809175 HCBWDCIEEJAXTN-HNNXBMFYSA-N 464.908 3.851 10 10 JHCE CCC1=NN(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106596 KWQHLSKXIMXNCS-UHFFFAOYSA-N 465.550 3.611 10 10 JHCE COc1cc([C@@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641264 OUKRZUALJHUNSX-JXQFQVJHSA-N 463.578 3.927 10 10 JHCE O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)c1 14476166 NHGFHRLVHFVRSR-LZNNFJEDSA-N 471.535 3.584 10 10 JHCE CCOC(=O)c1ccc(N2C(=N)S/C(=C/c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)C2=O)cc1 33417480 DPMURDQHXBKNCK-QGJBXVFPSA-N 495.561 3.579 10 10 JHCE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990307 GUFHRXMDDYFHCU-MOSHPQCFSA-N 498.630 3.660 10 10 JHCE CCN(CC)c1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(O)nc(SC)n[n+]32)c(OC)c1 261364231 KCKPVBDLGHIKHA-QHCPKHFHSA-O 466.587 3.627 10 10 JHCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 504757635 OSDYQSLUUNTVAC-FQJHJXCSSA-N 465.509 3.652 10 10 JHCE biogenic O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCCC3)c3ccccc23)SC1=S 1860827119 SSWZVMWEGYAPJO-CPNJWEJPSA-N 471.604 3.720 10 10 JHCE CCC[C@@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862258072 UDIYFMYTSLURMU-RUZDIDTESA-N 467.610 3.977 10 10 JHCE CCC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862291966 JZKKNPUXZANVGI-FQEVSTJZSA-N 474.945 3.504 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864013810 GQRZTRCDIKTBMK-NRFANRHFSA-N 468.513 3.781 10 10 JHCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864019565 MDSZIIHQFVWIOD-QFIPXVFZSA-N 476.577 3.762 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864022195 VPQCDUZAEKUZFL-QRQCRPRQSA-N 492.576 3.847 10 10 JHCE COC(=O)c1c(NC(=O)CN2C(=O)Cc3ccccc3C2=O)sc(C)c1-c1ccc(C)cc1 1866216932 DFJDETIBKDNWAK-UHFFFAOYSA-N 462.527 3.982 10 10 JHCE CC(C)OCCCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871118373 NAMIWRAYCKARJR-UHFFFAOYSA-N 464.566 3.883 10 10 JHCE Cc1cc(O)c([C@H](C)n2nc(C(F)(F)F)c(C(N)=O)c2I)cc1C 2080030512 NTUREUIUUHIYCV-QMMMGPOBSA-N 453.202 3.537 10 10 JHCE CC(C)(C)OC(=O)N1CC(c2nc(=NCc3cc(Br)cc(F)c3O)s[nH]2)C1 2296461685 IXQIFXRBAHLAAH-UHFFFAOYSA-N 459.341 3.514 10 10 JHCE NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3ccc(C(F)(F)F)cc3)SC2=S)cc1 2323840261 GRLPLNQGIJEHJN-UHFFFAOYSA-N 472.535 3.797 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC 34888388 RXMNDEUYTHNCRI-YBFXNURJSA-N 481.555 3.842 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(N3CCOCC3)C2=O)cc1 35518876 PIDSSMCYIXBBMM-QNGOZBTKSA-N 478.599 3.996 10 10 JHCE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCc2ccccc2)C1=O 97453539 XTQUMPVTSKJACM-CAPFRKAQSA-N 494.642 3.895 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc(C)cc3Br)cc2)CC1 1632944998 JPPQQLXDPQSUOF-UHFFFAOYSA-N 458.400 3.675 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCCCCO)[C@@H](C)C1 1760606431 INOKKTATSPMZID-FQEVSTJZSA-N 464.614 3.572 10 10 JHCE CCCOCCOC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826766 MBOKREVCIFYBQN-CPNJWEJPSA-N 490.603 3.677 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccs3)CC2)cc1 1862037305 ROAPLSSEWNPCFN-QFIPXVFZSA-N 467.566 3.586 10 10 JHCE CCc1ccccc1OCC(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 1862279263 MDTNYAPGSUXVLZ-NDEPHWFRSA-N 487.600 3.843 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033603 DPIWKXRDJBXEIN-IIYDPXPESA-N 494.514 3.922 10 10 JHCE CSCC[C@@H](NC(=O)C[C@@H]1CCCCO1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867256050 JUYLHWUERVOLQL-HRAATJIYSA-N 480.586 3.598 10 10 JHCE O=C([C@@H]1CN(C(=O)C=Cc2c(Cl)nc3ccccn23)c2ccccc2O1)N1CCCCC1 2040481707 BFPVAPVCNLIBCA-FQEVSTJZSA-N 450.926 3.808 10 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COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1OC 16915108 OYOAIAATRRNQPM-UDWIEESQSA-N 489.571 3.620 10 10 JHCE CCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3c(C)cccn3c2=O)SC1=S 39729115 NSMOKPGRFRPEFT-SAPNQHFASA-N 460.625 3.843 10 10 JHCE COc1ccc(N2CCN(c3ncnc(Nc4cccc(Br)c4)c3N)CC2)cc1 40727879 ATJZTLLUSPNXFK-UHFFFAOYSA-N 455.360 3.900 10 10 JHCE CCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)s1 62694386 OGLIXFCISKOQPC-UHFFFAOYSA-N 471.648 3.907 10 10 JHCE Cc1cc(N2CCN(C(=O)c3cc(C)n(-c4cccc(C(C)C)c4)c3C)CC2)n2ncnc2n1 108187047 SGYRBAAUHXDXNK-UHFFFAOYSA-N 457.582 3.926 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCc1ccccc1OC 205941018 GDNJSCYMFANHAD-KGENOOAVSA-N 450.520 3.634 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)c3ccc(Br)cc3)cc2)CC1 1556199676 SDUMYUAZNGDPBV-UHFFFAOYSA-N 458.400 3.712 10 10 JHCE CCCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861909395 DJKZAQJVZBPNNI-QFIPXVFZSA-N 468.554 3.549 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864007487 NYQJVNHWOKWOCK-QFIPXVFZSA-N 488.569 3.707 10 10 JHCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864008118 CNXPCSWEFITQKY-NRFANRHFSA-N 480.952 3.999 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865035477 UYQXZSWKHHMYPM-ZOCZFRKYSA-N 468.598 3.712 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cncc(C)c3)CC2)cc1 1874642648 KGGDDCBEGSPSCY-HHHXNRCGSA-N 497.599 3.570 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2296540684 FGWIUVBCCCBLDW-SFHVURJKSA-N 480.615 3.758 10 10 JHCE Cc1ccc(N2NC(=O)C(=Cc3cc(Br)cc(Br)c3O)C2=O)cc1C 2313518369 XBUCHNNLTMKSGG-UHFFFAOYSA-N 466.129 3.995 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1 2313559082 QOPBYYAWULDFET-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1O 15037476 ZYYUEYCYVJPIBX-PDGQHHTCSA-N 458.561 3.948 10 10 JHCE CCCC1=NN2C(=N)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)C(=O)N=C2S1 33417399 HTKILKGCBWBRLI-FBWOYIDMSA-N 454.533 3.874 10 10 JHCE COCCN1C(=O)/C(=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)NC1=S 254590410 UAQCRKPVDXXASB-UNOMPAQXSA-N 498.402 3.725 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C(=O)N4CCc5ccccc54)c3)CC2)cc1 750307995 AOSDBXIERKTIQD-UHFFFAOYSA-N 499.615 3.842 10 10 JHCE CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCSc2nccs2)CC1 1596158839 WMMKUAQFFUPBMO-INIZCTEOSA-N 490.630 3.865 10 10 JHCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)[C@@H](C)CC#N 1705930651 RYZZPQSNWCUGHG-SFHVURJKSA-N 466.611 3.692 10 10 JHCE CCCC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861957673 NHRCUHCFGUZNJN-VOCPSOEZSA-N 480.565 3.640 10 10 JHCE CC[C@@H](NC(=O)CCCOc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862227335 FHQBIZXOEQYMAB-JOCHJYFZSA-N 474.001 3.751 10 10 JHCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864008520 LWQJUOGUHYPJOX-NRFANRHFSA-N 492.919 3.849 10 10 JHCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(C)N=C2c2ccc(OC)cc2)cc1OC 1865675544 MXOIASBNVDQKHT-CJLVFECKSA-N 479.577 3.991 10 10 JHCE CC[C@@H](NC(=O)[C@H](c1ccc(F)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868854061 VUBRKXMCHRQYLN-RPWUZVMVSA-N 455.574 3.818 10 10 JHCE CCCOC(=O)COc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870332824 HAWWDAWEWZIEDB-UHFFFAOYSA-N 485.625 3.557 10 10 JHCE CCCCCCN1C(=O)C(=Cc2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S 2040498566 MTEJXWKJUCFYOK-UHFFFAOYSA-N 485.679 3.618 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(=O)O)C3=O)c(Oc3ccccc3Cl)nc12 2296851483 CTMHTCOKKKECOJ-UHFFFAOYSA-N 487.946 3.734 10 10 JHCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2313556504 BHSLKQWFDSZMBO-UHFFFAOYSA-N 480.274 3.635 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1)C(=O)O 2314929330 LDFQLCLDQNPRIF-QGZVFWFLSA-N 456.545 3.783 10 10 JHCE Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 33289200 HSWVJISDCOVHCU-QHCPKHFHSA-N 487.604 3.947 10 10 JHCE COc1c(Br)cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1Br 33562472 IZVPAQNPSQCARF-WQLSENKSSA-N 462.163 3.523 10 10 JHCE CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)c1C 96460584 BRFOJNZPIURWPQ-ONNBZHDSSA-N 485.591 3.504 10 10 JHCE CC(C)CN1CCO[C@@H](CNC(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)C1 109621999 IFMLVRIJFKKKOL-SFHVURJKSA-N 470.561 3.678 10 10 JHCE CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254605376 ALZCHYCYAJVRQL-XMMPIXPASA-N 475.614 3.561 10 10 JHCE Cc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(C(N)=O)c2I)c(O)c1 2079037342 HLMMFIJOBKYWOT-LBPRGKRZSA-N 467.229 3.865 10 10 JHCE C[C@@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3cccs3)C2=O)c2ccccc21 2297365238 YZGBUQQIRATGRY-QGZVFWFLSA-N 490.585 3.766 10 10 JHCE COC(=O)CN1C(=O)/C(=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 59038552 BUPZJVQETJTHIX-ISLYRVAYSA-N 458.948 3.944 10 10 JHCE COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)c1 102464110 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Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865026027 IHESHESLYXCFTQ-WNSKOXEYSA-N 492.551 3.743 10 10 JHCE COc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1866024567 SHVFCBOIFGBXQD-OAQYLSRUSA-N 456.543 3.635 10 10 JHCE Cc1ccc(C(C)(C)CCC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866791031 KMNWUSWIJUTWBE-XMMPIXPASA-N 498.579 3.944 10 10 JHCE CCCCCOc1cn(CCCCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870679146 ZYXYOPDBHTYZTM-UHFFFAOYSA-N 471.642 3.911 10 10 JHCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NCc1ccccc1 2293221793 JCDGWXFVTONOKW-UHFFFAOYSA-N 492.535 3.620 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 2296018779 SHXXOWPUXUVYPS-UHFFFAOYSA-N 459.505 3.548 10 10 JHCE CCCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650574 PEGLHDWAHJTIDQ-UHFFFAOYSA-N 454.621 3.938 10 10 JHCE CCN(CC)C(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945252 ABDTYLIEHYGGOC-UHFFFAOYSA-N 459.593 3.576 10 10 JHCE CN(Cc1ncc(I)cn1)c1ccc(CNC(=O)OC(C)(C)C)cc1 2328049771 IGNBKELLNDBBLR-UHFFFAOYSA-N 454.312 3.742 10 10 JHCE Cc1ccc(CNC(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)c(O)c1Br 2380750202 VBIRBLHRNAHOHZ-CQSZACIVSA-N 459.406 3.822 10 10 JHCE CCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1C 11857954 MQLOAGLTLFWSFR-UHFFFAOYSA-N 459.549 3.957 10 10 JHCE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15034786 PSTKJNFUJCIJJL-ZCWPUFOUSA-N 457.529 3.785 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc(C)c(NC(=O)C4=CSCCO4)c3)CC2)cc1 21019635 AKFHUSWJUKZJMW-UHFFFAOYSA-N 453.564 3.509 10 10 JHCE CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=N)N21 96459681 MBZAZXVDGLLTFC-JJJWLNEWSA-N 474.951 3.540 10 10 JHCE COc1ccc(N2CCN3c4ccccc4C[C@H](C(=O)NCCc4ccccc4OC)[C@H]3C2)cc1 245280356 NZBGJEUKRSYGNW-AHKZPQOWSA-N 471.601 3.930 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSCCCO)CC1 1286863611 WGPXPTPHVVUHCH-UHFFFAOYSA-N 496.681 3.527 10 10 JHCE CN(C(=O)NS(=O)(=O)c1ccccc1Cl)c1cccc2c1C(=O)c1ccccc1C2=O 1615949382 LUPJIPRACNZQGJ-UHFFFAOYSA-N 454.891 3.650 10 10 JHCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCN1CCOCC1(C)C 1705622832 WJOAUMPMFWMYMJ-UHFFFAOYSA-N 490.652 3.549 10 10 JHCE CCCCc1cc(O)nc(Nc2ccc(O)c(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)n1 1858171718 AVRXYTLGVHVQTC-UHFFFAOYSA-N 477.565 3.945 10 10 JHCE COc1ccc(Cc2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)cc1 1858335854 MPDZXIXNTZGFRD-UHFFFAOYSA-N 456.546 3.905 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858610774 NVRHKHFAOYWWKS-UHFFFAOYSA-N 480.567 3.763 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 1860343967 QLYJOSBDIIVDKM-XBBWARJSSA-N 482.584 3.728 10 10 JHCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865027551 ZAMRRQAIMXSGNP-OAQYLSRUSA-N 482.968 3.867 10 10 JHCE CC(=O)Nc1ccc2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c[nH]c2c1 1866438014 NJKHWYPEVIDZMC-UHFFFAOYSA-N 451.438 3.514 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1 1872716231 QZQJGEPWTOAWAI-UHFFFAOYSA-N 456.539 3.924 10 10 JHCE CCn1c(C(=O)N2CCc3ccccc3C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546354 MJYHVFXYMWGUFE-UHFFFAOYSA-N 496.615 3.985 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)NCc1cccnc1 2042453359 FLMHNTJEOLCOBQ-UHFFFAOYSA-N 463.531 3.981 10 10 JHCE O=C1C(=Cc2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2053497433 KAHBRZBARCOUOW-UHFFFAOYSA-N 464.528 3.894 10 10 JHCE CC(C)CN1C(=O)C(=Cc2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S 2296580542 YJCVYFIWWLCFLY-UHFFFAOYSA-N 460.625 3.779 10 10 JHCE COCCCN1C(=O)C(=Cc2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2296716230 NMEGFEGCXBDWNN-HZPDHXFCSA-N 486.663 3.723 10 10 JHCE Cc1ccc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c(C)c1 2297352565 BKESEQRRMZGKBD-UHFFFAOYSA-N 462.579 3.856 10 10 JHCE CCOc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(C)C2=O)cc1OC 2297577668 NNPCIZGHHUFQHA-UHFFFAOYSA-N 458.561 3.942 10 10 JHCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 2314414854 OXDYPILKHWDVOH-KRWDZBQOSA-N 486.663 3.949 10 10 JHCE CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 1143162 GLQRJMWHRAEWNS-FMQUCBEESA-N 451.573 3.962 10 10 JHCE O=C1N=C(N2CCOCC2)S/C1=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 33340259 OPBLYRURJLONOC-VHEBQXMUSA-N 484.375 3.669 10 10 JHCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 33922021 HWENAFYXPGFNEV-OWXSRONMSA-N 489.641 3.988 10 10 JHCE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc(Br)cc3)n2)c1 1858073647 GUWBYONMWMXGPL-UHFFFAOYSA-N 469.338 3.866 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865035544 WNXZDLFEXHWLHX-NRFANRHFSA-N 480.540 3.607 10 10 JHCE CC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867644483 WPAYGANMIQLSRB-CLJLJLNGSA-N 493.652 3.563 10 10 JHCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(Cc2cc(Cl)cc(Br)c2O)C1 2201092454 WIQADPQRQRWVOA-GXTWGEPZSA-N 463.756 3.750 10 10 JHCE CCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2296709065 LVMWWGKLPKUCDF-UHFFFAOYSA-N 466.588 3.926 10 10 JHCE CCCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(Br)ccc21 2296716912 BGVXEZNIHOOCPM-UHFFFAOYSA-N 455.399 3.814 10 10 JHCE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(F)cc4)SC3=S)C2=O)cc1 2314832429 HALZODOMSIWAPT-QGZVFWFLSA-N 484.530 3.536 10 10 JHCE O=C(Nc1cccc(N2CCC(NC[C@H]3CCS(=O)(=O)C3)CC2)c1)c1cccc(C(F)(F)F)c1 11785987 JTWYYRDISHUUIT-QGZVFWFLSA-N 495.567 3.951 10 10 JHCE Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C 20208135 SCCUIHFNVMGDJK-BQLOJNAPSA-N 475.983 3.677 10 10 JHCE COc1ccc(N2CCN(CN3C(=O)C4(OCC(C)(c5ccccc5)CO4)c4ccccc43)CC2)cc1 20428336 PPRWIGRIWJSVKK-UHFFFAOYSA-N 499.611 3.979 10 10 JHCE COCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O 33803854 RHVLONPXUJLEKP-WQRHYEAKSA-N 484.578 3.602 10 10 JHCE CCOC(=O)c1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1 65096234 RJXJUAAISSYSHD-UHFFFAOYSA-N 454.548 3.889 10 10 JHCE COc1cc(Br)cc([C@H](c2ccccc2)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1O 95948660 QQMRQYDLHPOYTP-ZHRRBRCNSA-N 488.426 3.537 10 10 JHCE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nc2c(s1)CCCC2 211933700 LEIRGDMIJNXWCT-LICLKQGHSA-N 475.617 3.879 10 10 JHCE CN(CCC(=O)O)C(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586691851 JRFVWTQVOJECCG-UHFFFAOYSA-N 471.469 3.653 10 10 JHCE CCN1CCN(C(=O)c2ccc(NC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 586707719 HKMUCPFNECRPDI-UHFFFAOYSA-N 482.540 3.884 10 10 JHCE Cc1cc(C(=O)CN2CCC(C(=O)N3CCCCC3)CC2)c(C)n1-c1ccc2c(c1)OCCO2 763577538 JYALLNBERRTWSC-UHFFFAOYSA-N 465.594 3.773 10 10 JHCE CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1 823022413 HSEOHSUVMXKZOO-ZDUSSCGKSA-N 490.899 3.659 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1869123888 AFLJHEPOXWYDBK-DEOSSOPVSA-N 492.668 3.792 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871646060 YANBCHQNKFOZHS-UHFFFAOYSA-N 468.005 3.516 10 10 JHCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCOc4ccccc4)c4ccccc34)[C@H]21 1873898044 HROHBTZCEPCGMI-NDEPHWFRSA-N 480.568 3.983 10 10 JHCE COCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2040498181 DXWVJUJUBOZHSZ-UHFFFAOYSA-N 494.642 3.895 10 10 JHCE CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)CC2 2136297626 ZYQSCKVQLRLULD-QZTJIDSGSA-N 459.543 3.507 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OCc4ccccc4F)c(Cl)c3)C(=O)N=C2S1 2297346165 IORDJBYUILGABZ-UHFFFAOYSA-N 492.941 3.679 10 10 JHCE Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccc(I)o2)SC1=S 40846764 YQUFWSPSVNIDRA-WQLSENKSSA-N 470.313 3.739 10 10 JHCE COc1nccnc1NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 101125173 CPBYLMDGISPMTG-CPNJWEJPSA-N 498.952 3.658 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 102464053 TXZJWJNQPRNZOU-XXWDETEYSA-N 479.518 3.570 10 10 JHCE Cc1nn2c(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccccc3)nc2s1 102470293 OVUBNHQPHIGDSU-RNYICVTRSA-N 461.454 3.948 10 10 JHCE O=C1/C(=C\N(CCN2CCOCC2)Cc2ccccc2F)SC(=S)N1c1ccccc1 102676206 RGAWOXHBUFIWIS-HEHNFIMWSA-N 457.596 3.866 10 10 JHCE O=C(O)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210684498 QVWCCCVNKLTNMA-QGOAFFKASA-N 456.545 3.661 10 10 JHCE CCCC(=O)Nc1cccc(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1C 743313822 GFSYSNWTYPEEPF-UHFFFAOYSA-N 453.587 3.686 10 10 JHCE COc1ccc(C)cc1-c1csc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 748934823 WKXRUEUCLZQHGP-UHFFFAOYSA-N 493.632 3.712 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)c(F)c2)C1 1722756334 KYPPESROBOXCGP-OAQYLSRUSA-N 456.610 3.569 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccccc4C)n4ccccc34)CC2)cc1 1858224433 WKGWRTWWVCQPOE-UHFFFAOYSA-N 483.572 3.544 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864011484 VASYHABOAGSRJW-HSZRJFAPSA-N 497.555 3.642 10 10 JHCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012263 WFTBKALUMDBWHC-HXUWFJFHSA-N 468.941 3.524 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030828 RUDFYAAJVGEFOG-NRFANRHFSA-N 468.598 3.856 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC(C)C)cn3CCCCCCO)CC2)cc1 1870438395 SQEJGHVSLNRUGH-UHFFFAOYSA-N 471.642 3.767 10 10 JHCE CCCN(CCC)C(=O)COc1cn(CCC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870460192 FIQIEOUVZFNUJJ-UHFFFAOYSA-N 498.668 3.617 10 10 JHCE COC(=O)c1c(C2CCC2)nn([C@H](C)c2ccc(OC)cc2O)c1I 2080007054 SZQOALMJRIXQLF-SNVBAGLBSA-N 456.280 3.865 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CC[C@H](COCc2ccccc2)C1 2200957423 BDVRERJNTUPECH-SFTDATJTSA-N 470.566 3.599 10 10 JHCE C[C@H](NC(=O)CCCCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)C(=O)O 2314836786 KBHDIOBQNRQDCC-LBPRGKRZSA-N 485.425 3.800 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3c4ccccc4C(=O)N4CCc5ccccc5[C@@H]34)CC2)cc1 4789351 BTLYKGSNCPUZMF-SVBPBHIXSA-N 467.569 3.881 10 10 JHCE N=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N=C2SC=CN12 6244877 DDNWKHKLWXRNRN-VRENQZFPSA-N 490.360 3.994 10 10 JHCE CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2=O)cc1 15050989 HALZODOMSIWAPT-LVSMMTLPSA-N 484.530 3.536 10 10 JHCE COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)N2c4ccc(OC)cc4C=C[C@H]32)cc1 101343354 GVIXKNWAVMHRND-ODAXIHTASA-N 460.530 3.709 10 10 JHCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 102995142 GTXNEZAFIYVUMS-GHRIWEEISA-N 481.555 3.861 10 10 JHCE Cc1cc(C(=O)COC(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc(F)c(Cl)c1 729928237 CKPFTIMJKUQFLN-UHFFFAOYSA-N 458.873 3.790 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(CC(C)C)n3)CC2)cc1 1862366345 MIJXTHZIUUSYLO-UHFFFAOYSA-N 462.550 3.906 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864013438 BIIKQBRKNUOZAK-JOCHJYFZSA-N 476.577 3.710 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865030287 HIPUTDJTJGOOND-ZHRRBRCNSA-N 489.576 3.727 10 10 JHCE CCOc1cn(Cc2ccccc2F)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870366273 NHHWMHZNIGSUHZ-UHFFFAOYSA-N 451.542 3.765 10 10 JHCE CCCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870964760 UQXVTXUOYZYXDD-UHFFFAOYSA-N 464.566 3.755 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CC(C)C)C3=O)c(NCCCn3ccnc3)nc12 2053496796 LRFVFUFOTZNCFP-UHFFFAOYSA-N 482.635 3.559 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1 2296538549 XBFKHMPDTPFDHK-QGZVFWFLSA-N 493.610 3.731 10 10 JHCE CCCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)cc1 2297314953 KYODDDOFOZXJDK-UHFFFAOYSA-N 493.541 3.967 10 10 JHCE Cc1c(N2C(=O)C(=Cc3ccc(C(=O)O)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2314928770 BFZCKVOKJMNLHO-UHFFFAOYSA-N 451.529 3.588 10 10 JHCE Cn1c(=O)c2c(-c3ccc(F)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc1-3 15859004 COKSGVURJQHBBL-RUZDIDTESA-N 485.471 3.727 10 10 JHCE Cc1cccc(OCCOCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)c1 27531688 SAPNHCNADAKQAO-NCELDCMTSA-N 458.514 3.931 10 10 JHCE CCCOc1nc2ccccc2nc1N1CCC(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 33088357 LHLAHVJXBZNRTB-UHFFFAOYSA-N 489.620 3.992 10 10 JHCE Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 33289199 HSWVJISDCOVHCU-HSZRJFAPSA-N 487.604 3.947 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 33528782 PWQOFCZGNZFDPE-JIHKLPAASA-N 472.636 3.985 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(C)c(C)c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 86076731 HHLYNRQPELNBLA-UHFFFAOYSA-N 467.547 3.768 10 10 JHCE CSCC[C@@H](N/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O)C(=O)OC(C)(C)C 102550644 INDSEMYXMYTXGY-QKXCFHHRSA-N 453.948 3.700 10 10 JHCE CCOc1ccc(-n2nc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)cc2C)cc1 1859616417 GPUJMQXSSAKZFM-UHFFFAOYSA-N 479.492 3.967 10 10 JHCE O=C(CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)O)CC1 1860345251 XBGZIFQMZBFDIV-WGSAOQKQSA-N 498.583 3.972 10 10 JHCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccc(O)c(O)c1 1864010188 JOXORSIUEXZCDO-OXQOHEQNSA-N 456.587 3.954 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865028378 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CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O 33749941 KHSCZSYIBMPIQP-KXGFGANYSA-N 472.636 3.701 10 10 JHCE CCCCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33772676 CVSFTVJFPSIBSI-XDJHFCHBSA-N 485.679 3.536 10 10 JHCE COc1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c(OC)c1OC 208363175 OAUAXNKOSLSMKY-XMHGGMMESA-N 457.527 3.644 10 10 JHCE COc1ccc(N2CCC(O)(CN3[C@H](c4ccccc4)C[C@]4(C)[C@H](O)[C@@H](O)CCC[C@H]34)CC2)cc1 1615191785 PIGZADFSUOIIFZ-JKFQQTEHSA-N 480.649 3.754 10 10 JHCE C=CCS(=O)(=O)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CC(F)(F)F 1705930809 WKUBDSIJEUDPQN-UHFFFAOYSA-N 481.544 3.952 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862209782 VQDNOMRCDHQEST-RDPSFJRHSA-N 497.661 3.836 10 10 JHCE CCCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(CC)cc1)=C(N)O2 1864013243 UCHMROSLUINYCL-NYHFZMIOSA-N 476.577 3.918 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865306567 CVKGBBOGGTVQPQ-QHCPKHFHSA-N 491.592 3.501 10 10 JHCE O=C(N[C@H]1COCC[C@H]1NCc1cc(Cl)cc(Br)c1O)OCc1ccccc1 2031531833 FPVDZQLSKGXRLK-MSOLQXFVSA-N 469.763 3.982 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2053498222 VVJABWDNAGICIY-HZPDHXFCSA-N 496.614 3.611 10 10 JHCE CCOc1cc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(I)c1O 2293769075 URSSYTGVWGUGBU-NSHDSACASA-N 491.372 3.776 10 10 JHCE CCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 2314764833 NJRCWOUZJAWUPT-UHFFFAOYSA-N 488.388 3.732 10 10 JHCE COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 15037848 YZJKATOWMCWSFT-PDGQHHTCSA-N 474.560 3.648 10 10 JHCE C[C@@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15048510 VQJMQVIQHHNBAD-KJLGNSRGSA-N 456.545 3.658 10 10 JHCE COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3cccc(F)c3F)C4)CC2)cc1 15779466 FEJOGUBEXFUDBB-UHFFFAOYSA-N 451.521 3.648 10 10 JHCE CCOc1cc(/C=C2/SC(Nc3ccccc3C(=O)OC)=NC2=O)ccc1OCCC(=O)O 16920160 FTQXVCWMYROZOY-CPNJWEJPSA-N 470.503 3.808 10 10 JHCE Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)c(C)n1-c1ccccc1 746427606 ZEIPBAMTAMGYRU-UHFFFAOYSA-N 477.550 3.650 10 10 JHCE COc1cc(N2CCC(NS(=O)(=O)c3ccc(OC4CCCC4)cc3)CC2)cc(OC)c1OC 1858044129 HOMUMIWBGYQCPN-UHFFFAOYSA-N 490.622 3.981 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(Cl)s4)cn3)CC2)cc1 1858433994 JOVYKQXFRJHFAK-UHFFFAOYSA-N 465.000 3.933 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011632 JNIGSKIUQVCHIZ-ASSNKEHSSA-N 482.968 3.914 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865026606 QFBMDMUMCHVDEF-JOCHJYFZSA-N 460.534 3.687 10 10 JHCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865027226 WJOSQEZDQYPHSB-NRFANRHFSA-N 480.952 3.621 10 10 JHCE NC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871119812 KYNMYKFMICFUPF-UHFFFAOYSA-N 455.518 3.511 10 10 JHCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(OC(F)F)cc3)C2=O)cc1OC 2040466846 OJSGYDIVARITHM-UHFFFAOYSA-N 466.487 3.851 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 2294199206 FBZMPEPPUMNUGQ-UHFFFAOYSA-N 463.490 3.793 10 10 JHCE COc1cccc(OCCn2cccc2C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)c1 2297352789 WQYBOGCQEIWVKY-UHFFFAOYSA-N 478.578 3.638 10 10 JHCE O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2297365645 BFDJZPGVYOEFQD-UHFFFAOYSA-N 487.424 3.538 10 10 JHCE COc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Cl)c1OC(C)C 2297556068 SMZFECMHMNEANO-UHFFFAOYSA-N 463.943 3.589 10 10 JHCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C[C@H]1CCCO1 2313630095 IUPPIVSFCLWTCS-GOSISDBHSA-N 488.407 3.878 10 10 JHCE N=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356648 OWPRHAUUCQVJTI-WQCWKDQBSA-N 486.351 3.618 10 10 JHCE Cc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1F 26096507 GEMPTHZHRZPVPV-UHFFFAOYSA-N 455.555 3.816 10 10 JHCE CCOc1cc(/C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)ccc1O 33316936 CVTWAQIJVCIWJM-CPNJWEJPSA-N 467.518 3.723 10 10 JHCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 34256797 ZQSIURKMJAKXAX-NBVRZTHBSA-N 474.652 3.867 10 10 JHCE O=C(NN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S)c1ccccc1 40939884 KIRRGTGVLXIEPO-HMMYKYKNSA-N 481.599 3.624 10 10 JHCE COc1cc(/C=C2/SC(=S)N(C3CC3)C2=O)ccc1OCC(=O)NCCc1ccccc1 96577084 ROQJYEWERSAJPH-KGENOOAVSA-N 468.600 3.797 10 10 JHCE COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)ccc21 483402585 FONQKNOIEHUPCY-UHFFFAOYSA-N 483.996 3.921 10 10 JHCE CN(Cc1ccccc1O)C(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757389281 WIRBURFMOOOGGT-HSZRJFAPSA-N 474.513 3.733 10 10 JHCE Cc1ccc(S(=O)(=O)NC(=S)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1C 1858606431 ASLYLWAYIRHARP-UHFFFAOYSA-N 450.541 3.754 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864013884 IBOOYNBCSORHQG-IVZQSRNASA-N 492.576 3.847 10 10 JHCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@@H]2c1ccc(O)c(O)c1 1864014885 FMWUSJPFUDTYHW-OAHLLOKOSA-N 494.857 3.515 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864019011 UEBVAADXBODVKK-OAQYLSRUSA-N 480.540 3.655 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864022906 ZVXYXUMMTBMFCX-HSZRJFAPSA-N 490.604 3.956 10 10 JHCE CCOC(=O)C1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(C(C)(C)C)n2)CC1 1867970351 WSLJOTHBOYWSQI-UHFFFAOYSA-N 481.641 3.889 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@@H]1COc2ccccc2O1 1873958887 WXCFWILONIBVSE-GOSISDBHSA-N 492.535 3.531 10 10 JHCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 2294095523 VKFBXIJQXUSZJF-UHFFFAOYSA-N 460.417 3.800 10 10 JHCE CC(C)C[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)O 2297720147 NKEPISNZTDLAKF-LVXARBLLSA-N 488.588 3.794 10 10 JHCE CC[C@H](Oc1ccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1)C(=O)O 2314926995 XDODWDAISKLYNN-MSOLQXFVSA-N 471.556 3.826 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccccc1C(=O)O 2314933608 BVUIBJUKSZYVTL-UHFFFAOYSA-N 464.471 3.826 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)O 2314935886 SLUZRAYFKHGJIK-CQSZACIVSA-N 486.571 3.792 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3cc(C(=O)Nc4ccccc4C)ccc3F)CC2)cc1 3021796 KBCMLIUMLJLLKP-UHFFFAOYSA-N 483.565 3.906 10 10 JHCE COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccc(O)cc2O)cc1 8587543 SOMBHLHHBAFCMC-HSZRJFAPSA-N 496.523 3.630 10 10 JHCE COc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(Cl)cc4)SC3=S)C2=O)cc1 15050918 GJSBCZDLXIIWDW-FNTDYBJHSA-N 458.948 3.882 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4ccc(-c5cccs5)nn4)CC3)CC2)cc1 15734828 FDNRMOTXEWYIAX-UHFFFAOYSA-N 463.607 3.779 10 10 JHCE CCOCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccccc2)SC1=S 40066560 VUYMPNZBCFNBCI-QNGOZBTKSA-N 496.658 3.848 10 10 JHCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(C)cc12 205945065 BPFLVRUMNZXCHU-KOEQRZSOSA-N 460.534 3.857 10 10 JHCE CCn1c(NCc2ccco2)c(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 208272034 SUDHDHLEIMXEFR-JJLFXSABSA-N 484.603 3.634 10 10 JHCE CN(C)CCCNC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 586614516 OUVNVGKUGPPXKI-UHFFFAOYSA-N 470.529 3.788 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c(C)c1 1083965865 KDJSWBJQNVOMDR-XDHOZWIPSA-N 474.477 3.593 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCc4ccc(C)cc4)n4ccccc34)CC2)cc1 1858224541 YYURMYFDYCOGAG-UHFFFAOYSA-N 483.572 3.544 10 10 JHCE COc1cc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)O)C2=O)cc(Br)c1O 1858590199 BRYUCGKZNXZWKR-CEXMDJMXSA-N 478.411 3.571 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)/C=C/c4ccco4)CC3)ccc21 1860600682 ALRPEYDDJVBBRD-CSKARUKUSA-N 454.482 3.946 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864018385 KDIIVOSVUFGOPI-LJQANCHMSA-N 486.931 3.528 10 10 JHCE CC[C@@](C)(NC(=O)c1cc(-c2ccncc2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867161538 AQJFRQYWXQAHLT-MUUNZHRXSA-N 493.523 3.784 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCOCC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867983917 WAMBIPOJWRWIFG-UHFFFAOYSA-N 465.985 3.969 10 10 JHCE CC[C@@H](C)N1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 2040499450 YIWBXRFAAPBTJM-MRXNPFEDSA-N 482.635 3.701 10 10 JHCE CC(C)(C)OC(=O)NC[C@@]12C[C@@H]1CN(c1ccc(N)c3c1CCN(C(=O)OC(C)(C)C)C3)C2 2272652748 CKQPBMDPTBYEHQ-PUAOIOHZSA-N 458.603 3.913 10 10 JHCE COCCN1C(=O)C(=Cc2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 2296707845 RNUHDZPKVVOICW-UHFFFAOYSA-N 480.615 3.771 10 10 JHCE COCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3C)c3ccccc32)SC1=S 2296712176 GUODJAPOEWKNHQ-UHFFFAOYSA-N 481.599 3.588 10 10 JHCE O=C(NN1C(=O)C(=Cc2c(O)ccc3ccccc23)SC1=S)c1ccc([N+](=O)[O-])cc1 2314717049 JECWVZYDEYUAJR-UHFFFAOYSA-N 451.485 4.000 10 10 JHCE Cc1c(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1009671 MGEXBBAMAXCEHM-CYVLTUHYSA-N 478.599 3.714 10 10 JHCE CC1CCN(C2=NN3C(=N)/C(=C\c4ccc(-c5cccc(C(=O)O)c5)o4)C(=O)N=C3S2)CC1 20356706 FAPDHXHQMINKBI-HGPWHKJCSA-N 463.519 3.953 10 10 JHCE COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3cc(OC)ccc3OC)CC2)cc1 33292922 RZJHKJILMXDTRL-UHFFFAOYSA-N 495.605 3.560 10 10 JHCE COCCN1C(=O)/C(=C\c2c(NCc3ccc(C)cc3)nc3c(C)cccn3c2=O)SC1=S 35225859 RNUHDZPKVVOICW-CPNJWEJPSA-N 480.615 3.771 10 10 JHCE O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccc(F)cc1 105629203 UGJYPFRFWADWBH-FDFHNCONSA-N 455.441 3.516 10 10 JHCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1 526352920 CIIQJAQPXAKZCK-HSZRJFAPSA-N 477.469 3.959 10 10 JHCE CN1CCN(c2ccc(NC(=O)CCNCc3cc(Cl)cc(Br)c3O)cc2)CC1 1860715362 VKFCFBRVVMWRGE-UHFFFAOYSA-N 481.822 3.678 10 10 JHCE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012185 UBHYPFBJZQQQFW-HXUWFJFHSA-N 468.941 3.524 10 10 JHCE CCNC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870971826 XHOMIWVQVWFELB-XMMPIXPASA-N 476.577 3.898 10 10 JHCE COc1ccc2c(c1)c(=O)cc(C)n2CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179402 CCWAOMVWKHUEQG-UHFFFAOYSA-N 452.466 3.733 10 10 JHCE CC[C@H](c1cc(C)c(C)cc1O)n1nc(C2(C)CC2)c(C(N)=O)c1I 2079999458 JKCYVSDYIQVROS-CYBMUJFWSA-N 453.324 3.960 10 10 JHCE CCOc1cc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 15937008 WDHPVDNEUOZONL-WKUXCIEASA-N 493.545 3.960 10 10 JHCE CCSC1=NSC2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12 20205557 OMHZFRKYSBUAII-PSPCYXPKSA-N 472.573 3.784 10 10 JHCE CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc1 62694445 NQIXQCCNBGSCHL-UHFFFAOYSA-N 481.618 3.682 10 10 JHCE CC(/C=C1\SC(=S)N([C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)C1=O)=C\c1ccccc1 101154651 CKFRVFUZTKIDSJ-BEUYGYBQSA-N 478.551 3.864 10 10 JHCE CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 1083977581 GLJDEJMYGJTARR-MTJSOVHGSA-N 473.485 3.888 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018578 OIRPZRNFPGISSC-NRFANRHFSA-N 480.540 3.511 10 10 JHCE CCC[C@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867241729 YMUAOSZZUIRZHR-FQEVSTJZSA-N 496.523 3.993 10 10 JHCE COc1cccc([C@@H]2[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)c1 1874179756 NTUKIFJTNGCRIW-HYBUGGRVSA-N 454.482 3.629 10 10 JHCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC1(CCOCc2ccccc2)CC1 2200966487 HNLRVDSOFDWXIE-FQEVSTJZSA-N 470.566 3.789 10 10 JHCE CC(C)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCCCC(=O)O)C1=O 2296545989 FDBIDXHECMRYCJ-UHFFFAOYSA-N 474.608 3.609 10 10 JHCE Cc1cccc(N2C(=O)NC(=O)C(=CN=c3[nH]nc(-c4ccc(Cl)cc4Cl)s3)C2=O)c1 2297104905 KVKLDRZDYVZORU-UHFFFAOYSA-N 474.329 3.821 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc(C(=O)O)cc1 2314827754 LUKRGUUGFJFGNH-UHFFFAOYSA-N 457.489 3.523 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1)C(=O)O 2314929294 KPPQCJOAMJFYGB-QGZVFWFLSA-N 456.545 3.783 10 10 JHCE Cc1cc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 11672097 YPASLHIAPDDFSC-UHFFFAOYSA-N 474.466 3.585 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1OC(C)=O 13914305 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CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(C)cc1 1865179503 HIKVARKUBYJEGA-XMMPIXPASA-N 487.604 3.572 10 10 JHCE COc1cc(OC)c2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c2c1 1866556983 ZVNCZXKKRHOCLR-HSZRJFAPSA-N 478.593 3.568 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868708107 FXWMNVWJXHJZHV-OFVILXPXSA-N 481.637 3.995 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868710392 DVDNUQBZFSVADC-HSZRJFAPSA-N 455.574 3.737 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H]3CC(=O)c4ccccc43)c3ccccc3)CC2)cc1 1869038825 WGRIEAOPAHAWDE-MNNSJKJDSA-N 497.595 3.962 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)NCCC3=CCCCC3)cc1C2=O 1873881070 CDRYIEJZUDJCDC-UHFFFAOYSA-N 475.497 3.933 10 10 JHCE COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)c([N+](=O)[O-])c1 2297361519 VIQFHECYPBTSLB-UHFFFAOYSA-N 474.473 3.986 10 10 JHCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314836532 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Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)c1 2296565727 POEMYFVDDJBFRF-UHFFFAOYSA-N 463.273 3.740 10 10 JHCE COCCN1C(=O)C(=Cc2cn(CCCOc3ccc(C)cc3)c3ccccc23)C(=O)NC1=S 2297560275 JZCHEQMTPZIBOC-UHFFFAOYSA-N 477.586 3.692 10 10 JHCE C[C@@H](C(=O)NCCC(=O)O)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314837939 YRWLMRJWWSPFBE-AWEZNQCLSA-N 456.545 3.660 10 10 JHCE Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 95927046 GWRXLKWIIBAVNI-UUASQNMZSA-N 450.925 3.732 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NC1CC(C)(C)NC(C)(C)C1 101771593 YEDRRLIUZAOMIK-XSFVSMFZSA-N 469.611 3.735 10 10 JHCE CCOc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3)C(=O)c3ccccc3C2=O)c1 250522424 UHNCJMHDKQCZEL-ZRBLBEILSA-N 467.477 3.780 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864017401 LGQZQHNGIFIGOZ-LJQANCHMSA-N 468.941 3.720 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 1868635058 YQPPIWIUEUTMDV-UHFFFAOYSA-N 490.604 3.753 10 10 JHCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC[C@H](c3ccco3)C2)n1 1869116843 KLZLZYMVNPFXDF-FQEVSTJZSA-N 463.582 3.588 10 10 JHCE CCCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1cccc(Cl)c1 1869970233 GFELZYSDRHIEHY-UHFFFAOYSA-N 454.962 3.995 10 10 JHCE CCN(CC)CCN1C(=O)C(NCc2ccncc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164344 XMCCDKVBIHQRLZ-UHFFFAOYSA-N 471.605 3.701 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873165976 YYNUYSMHKZRVQZ-UHFFFAOYSA-N 465.557 3.930 10 10 JHCE COc1ccc([C@@H](C(C)C)n2nc(C3(C)CC3)c(C(N)=O)c2I)c(O)c1 2080029635 BFLXDUXCEHUNSV-OAHLLOKOSA-N 469.323 3.598 10 10 JHCE CN1CCc2cc(CNC[C@@H]3CN(C(=O)OC(C)(C)C)CCN3Cc3ccccc3)ccc21 2140602538 NJUIOJGJDXDHNQ-XMMPIXPASA-N 450.627 3.890 10 10 JHCE CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)[C@@H]1CC[C@H]1OCc1ccccc1 2200971635 OXQBWOCJYBYIDL-MIZPHKNDSA-N 470.566 3.740 10 10 JHCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 2294130842 KNWFHMPOBOUQKH-UHFFFAOYSA-N 463.273 3.686 10 10 JHCE COc1ccc(OCCOc2ccccc2C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 2297335685 SMLJVMPZHOSPIF-UHFFFAOYSA-N 458.470 3.819 10 10 JHCE COc1ccc(Br)cc1C=C1C(=O)NN(c2ccc(Br)cc2)C1=O 2297451614 FAIHNCKZFPYEAA-UHFFFAOYSA-N 452.102 3.682 10 10 JHCE O=C1C(=Cc2cc3cc4c(cc3nc2O)OCO4)SC(=S)N1CCc1ccc(O)cc1 2297580217 CXMMLJOGUKADON-UHFFFAOYSA-N 452.513 3.819 10 10 JHCE COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 2313558011 QUULMECUGZAQCG-UHFFFAOYSA-N 478.436 3.816 10 10 JHCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCC(=O)O)C1=O 2314399648 ARWZUFNEAODBGE-UHFFFAOYSA-N 474.608 3.671 10 10 JHCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@@H]32)ccc1O 14459375 CDFOYIICWQLMLG-SXTNBDNLSA-N 456.564 3.685 10 10 JHCE O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 33319489 NBDIDQTYGXXQEW-MHWRWJLKSA-N 470.235 3.784 10 10 JHCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCN(C)CC2)SC1=S 33812697 SWIXYWLSIWCLOJ-HKWRFOASSA-N 487.695 3.582 10 10 JHCE COc1ccc(N2CCN(CN3C(=O)N[C@](C)(c4ccc(C(C)(C)C)cc4)C3=O)CC2)cc1 104752803 GMELBTIPYIUIEI-AREMUKBSSA-N 450.583 3.539 10 10 JHCE COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4ccc(OC)cc4)C[C@@H]23)cc1 169681344 UUAQHJIOIPZGRF-XCZPVHLTSA-N 471.601 3.930 10 10 JHCE Cc1c(Cl)cc(S(=O)(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1[N+](=O)[O-] 748866352 GIWQKAZHSOUXMZ-UHFFFAOYSA-N 487.968 3.884 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3NC(=O)c3ccccc3)cc2)CC1 1466883032 WGSMJIPNJVLARF-UHFFFAOYSA-N 456.546 3.537 10 10 JHCE Cc1n[nH]c(C)c1CNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860344981 LODQTQUAPVOUDG-HHHXNRCGSA-N 482.588 3.835 10 10 JHCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864012891 LPZPUUCFEVNLFG-QFIPXVFZSA-N 494.567 3.901 10 10 JHCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864015603 SUJXSZCDMQGSRV-MRXNPFEDSA-N 480.487 3.774 10 10 JHCE CCC[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867775653 POTYIYYCSLMWFE-JWQCQUIFSA-N 450.627 3.995 10 10 JHCE COc1ccc(N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3Br)CC2)cc1 1873525365 ZAFQJKQDPKCYMJ-UHFFFAOYSA-N 475.774 3.984 10 10 JHCE C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)C1(c2cc(O)nc(O)c2)CC1 1952431817 PTUHMJILFBBJPR-RUZDIDTESA-N 460.486 3.906 10 10 JHCE CCOC(=O)c1c(C)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2079977844 RQRMCWRSJMZWQZ-MRXNPFEDSA-N 456.280 3.686 10 10 JHCE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(c3ccc(N)c4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 2182734927 BAISEXGLEMZMCB-UHFFFAOYSA-N 492.642 3.785 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2cc(F)cc(F)c2O)C1 2259377528 XEFZIXXCOVPPJP-UHFFFAOYSA-N 457.518 3.616 10 10 JHCE O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccccc1C(=O)O 2296881548 NVTHDMPRIBKWLW-UHFFFAOYSA-N 477.361 3.987 10 10 JHCE Cc1cccc(Cn2cc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c3ccccc32)c1 2297345864 JGFMXVZSKWUNOF-UHFFFAOYSA-N 477.571 3.619 10 10 JHCE CN(C1=NC(=O)C(=C2C(=O)Nc3ccc(Br)cc32)S1)c1ccccc1C(=O)O 2314557163 PUFDTPHLEXHYOG-UHFFFAOYSA-N 458.293 3.576 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cn(-c4cccc(OC)c4)c(=O)c4ccccc34)CC2)cc1 9407245 CAGSFIDZABNKTP-UHFFFAOYSA-N 469.541 3.970 10 10 JHCE CCn1c(C(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc2sccc21 9847730 XJKVVQMZXQQYMH-IBGZPJMESA-N 480.634 3.932 10 10 JHCE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)CCCC5)n3)cc21 11857553 ACDSVIBSKXILHR-UHFFFAOYSA-N 455.561 3.845 10 10 JHCE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)[C@H](C)O5)cs3)ccc21 11858005 KPFWUNFDJYNNIW-ZDUSSCGKSA-N 498.586 3.629 10 10 JHCE COc1cc(CNCCc2cc(C)n(-c3ccccc3)c2C)ccc1OCC(=O)N1CCOCC1 15595163 GWWQRCIDWFXJSQ-UHFFFAOYSA-N 477.605 3.673 10 10 JHCE CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCOCC2)SC1=S 33474205 JQSODXBJKYCJFS-XMHGGMMESA-N 474.652 3.666 10 10 JHCE CCCCN(C(=O)/C=C\c1cccc2cccnc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 96941242 CVHMTKDJDLFGQJ-PFONDFGASA-N 469.545 3.562 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CCc4c(Br)cccc43)CC2)cc1 727843600 FTFDUJYYQKDPPE-JOCHJYFZSA-N 473.415 3.566 10 10 JHCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)nn(Cc4ccccc4Cl)c3C)C2=O)cc1 1084025335 LSGLEKFFASVNGO-UDWIEESQSA-N 464.909 3.877 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)cc3NC(=O)c3ccoc3)c2)CC1 1447790643 BENMYJLAXYRRDR-UHFFFAOYSA-N 450.470 3.592 10 10 JHCE CC(=O)N1CCN(CCn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CCC(F)F)CC1 1722795063 DTNQMLPJWQPORR-UHFFFAOYSA-N 499.610 3.608 10 10 JHCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011604 WKPCOWJVJHXAGT-HSZRJFAPSA-N 470.529 3.964 10 10 JHCE Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2313548325 SFJJZSXGQLEGOP-UHFFFAOYSA-N 480.868 3.630 10 10 JHCE O=C(CN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cccc(C(=O)O)c1 2314933284 AGNGMPXJRNEATQ-UHFFFAOYSA-N 464.471 3.826 10 10 JHCE Cc1cc(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1-c1ccccc1 11085375 GWXADPZPJDNDQG-UHFFFAOYSA-N 465.619 3.854 10 10 JHCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(c4nc5ccccc5s4)CC3)cc2)C1 727308558 OTEZOFWAYKHXFR-HXUWFJFHSA-N 477.634 3.531 10 10 JHCE Cc1cccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1 1084428783 KQZJTTCFZSLEKU-GDNBJRDFSA-N 460.353 3.782 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C)cc4)n4ccccc34)CC2)cc1 1858224676 APAYTIQTTLTXLT-UHFFFAOYSA-N 469.545 3.866 10 10 JHCE CCN(CC)c1ccc(CNCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 1860715873 CQTJMMRJOSWHCQ-UHFFFAOYSA-N 473.624 3.518 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865029609 RIHLJLYWILYJQG-QHCPKHFHSA-N 474.561 3.933 10 10 JHCE COc1cc([C@@H](OC)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1952535067 MBZXEONNYSVOPC-ISKFKSNPSA-N 479.485 3.786 10 10 JHCE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)C=C2SC(=O)NC2=O)cc1 2293228048 AZCCSVATTLSHSL-SFHVURJKSA-N 454.939 3.951 10 10 JHCE COC(=O)c1ccc(C=C2SC(=S)N(CCCCCC(=O)N=c3cc(C)o[nH]3)C2=O)cc1 2296882439 VFGYOPHVOJHPBB-UHFFFAOYSA-N 473.576 3.592 10 10 JHCE O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1cccc(OCc2cccc(F)c2)c1 2297350556 SVUZBBFFRCJWGS-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE CC(=O)Nc1cccc(NC=C2C(=O)N(c3ccc(I)cc3)N=C2C)c1 2297453077 VLLRRDWGXPYGJE-UHFFFAOYSA-N 460.275 3.968 10 10 JHCE CCOc1cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc(Br)c1O 2314740978 QJMLSZZZVUHKKR-UHFFFAOYSA-N 460.371 3.708 10 10 JHCE Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 20356658 BVHNHIBFAONARZ-DMNVVODESA-N 462.579 3.620 10 10 JHCE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 33812735 AWHNAVDFKDELAK-ZHTGWBIJSA-N 487.695 3.580 10 10 JHCE COc1ccc(OC)c([C@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)c2cccc(F)c2)c1 35963820 WVTXZIXGGFCDOQ-HSZRJFAPSA-N 478.524 3.631 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008255 GQXJSYCUICAIFG-QFIPXVFZSA-N 488.569 3.973 10 10 JHCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864019017 UHUXBVYMDVIOJK-QFIPXVFZSA-N 492.551 3.798 10 10 JHCE CCC[C@H](NC(=O)C[C@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868944286 WMRAMGMZLWNXBY-CPJSRVTESA-N 467.610 3.831 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H]5CCCO5)ncnc4n3CC(C)C)CC2)cc1 1875207948 NVMJDTWRVYUGLV-QFIPXVFZSA-N 492.624 3.649 10 10 JHCE [N-]=[N+]=NC1CN(CC(=O)Nc2c(Br)cc(Br)cc2Br)C1 1912180208 XEHGCJUJYAWPCC-UHFFFAOYSA-N 467.947 3.907 10 10 JHCE CCOC(=O)c1c(CC)nn([C@H](CC)c2ccc(OC)cc2O)c1I 2079979737 UIAWFRRHAQDBIC-CQSZACIVSA-N 458.296 3.940 10 10 JHCE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Br)cc2)N2CCCC2)cc1 8608823 GJEVCPFQTOPWQS-FQEVSTJZSA-N 452.418 3.631 10 10 JHCE O=C(O)COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1 27532534 NSQXHUMHTBXBGY-OQLLNIDSSA-N 461.293 3.584 10 10 JHCE CCCCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39990312 ZWPCNPBWBJKINB-ZHZULCJRSA-N 486.663 3.809 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 103040866 PUDLPTHKLSPKBR-LICLKQGHSA-N 460.508 3.850 10 10 JHCE O=C(O)CCCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 210659192 JRHWKMUETSQIHJ-LDADJPATSA-N 474.535 3.909 10 10 JHCE O=C1[C@@H]2[C@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 226379231 LWGSRAMWSPNCKD-ZNCKRENSSA-N 494.459 3.631 10 10 JHCE Cc1nc(COc2ccc(NC(=O)C(=O)NCCc3cc(C)n(-c4ccccc4)c3C)cc2)no1 731125796 NOJVNDONKKSSMY-UHFFFAOYSA-N 473.533 3.662 10 10 JHCE CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083816727 LFNIPGXHEHYFCA-KNOCVWDGSA-N 469.494 3.687 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(C(=O)N(C)c4ccccc4)c3)c2)CC1 1459047661 FSHQWKLNSHOPEL-UHFFFAOYSA-N 456.546 3.884 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3c(C)cc(C)c(Br)c3C)cc2)CC1 1625198697 JYRNKDZQGDZGIL-UHFFFAOYSA-N 458.400 3.973 10 10 JHCE CC[C@@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862182043 NCKRFKFWLCTZPU-JOCHJYFZSA-N 474.001 3.588 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864008205 FOHUIWGAVPMORI-QFIPXVFZSA-N 488.569 3.724 10 10 JHCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030689 OTHHUNVRDHHFOP-QFIPXVFZSA-N 494.567 3.997 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccco1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865306566 CVKGBBOGGTVQPQ-HSZRJFAPSA-N 491.592 3.501 10 10 JHCE CC(=O)NCCN1C(=O)C(Nc2ccc(C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422079 FPGSCHZSOYYSJT-UHFFFAOYSA-N 456.546 3.731 10 10 JHCE O=C(C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017613 SUUVNRTZKIXHMC-FQEVSTJZSA-N 487.899 3.565 10 10 JHCE CCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCc2ccccc2)C1=O 2040498550 MKQCXWSHTZSGNN-UHFFFAOYSA-N 450.589 3.960 10 10 JHCE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 2294133903 LYBGURQVTHJEJA-UHFFFAOYSA-N 459.296 3.831 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OS(=O)(=O)c1ccc(OC)cc1 3462345 JRMSTLBICCWNIV-LDADJPATSA-N 465.574 3.693 10 10 JHCE COc1ccc(N2CCN(c3nc(Cl)nc(NCCc4ccc(OC)c(OC)c4)n3)CC2)cc1 9805192 QKYMPWYGNSDLEW-UHFFFAOYSA-N 484.988 3.532 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15047164 CINCKQIGIJVQMH-HIPMGEKLSA-N 472.544 3.503 10 10 JHCE COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccc(F)cc3F)C4)CC2)cc1 15779468 HYAHOMBDRVPPPG-UHFFFAOYSA-N 451.521 3.648 10 10 JHCE COc1ccc(N2CCN3c4cc(OC)ccc4C[C@H](C(=O)NCCc4cccs4)[C@H]3C2)cc1 245279919 JPQXKFRIXITKSN-AZGAKELHSA-N 477.630 3.992 10 10 JHCE O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 727251074 UVRDOZFHOLGXFE-UHFFFAOYSA-N 467.569 3.535 10 10 JHCE CCC[C@@H](NC(=O)c1cc(-c2ccco2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867241731 YMUAOSZZUIRZHR-HXUWFJFHSA-N 496.523 3.993 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1 1868637825 WSFWIYFPBXEKEG-UHFFFAOYSA-N 490.604 3.753 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(F)cc4)[nH]3)CC2)cc1 1871515893 KSQOKDCQKGLBAD-UHFFFAOYSA-N 475.528 3.717 10 10 JHCE CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)NC2=S)c1 2297329755 BLSCWBCJXVDBKB-UHFFFAOYSA-N 462.483 3.875 10 10 JHCE O=C(O)CCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2297453595 QLQUIBKJMFTJLG-CQSZACIVSA-N 476.488 3.764 10 10 JHCE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)C2=O)cc1 2297458278 GQFPATPIYXTFJO-UHFFFAOYSA-N 474.469 3.760 10 10 JHCE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc([S@](=N)(=O)O)cc3)o2)C1=O 2297551320 AHJLPKIUNOKPEF-UHFFFAOYSA-N 451.460 3.800 10 10 JHCE Cc1ccc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c(O)c1Br 2380783040 UNANSGNDHFDAIV-CYBMUJFWSA-N 455.271 3.877 10 10 JHCE CCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCN(c3ccccc3)CC2)SC1=S 33450738 MVXDSBKAEHKJLR-RCCKNPSSSA-N 493.658 3.503 10 10 JHCE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)cc2c1 38732815 MZCJVPAVBNPJDD-UNOMPAQXSA-N 454.621 3.855 10 10 JHCE Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 253564891 HAZYTXANJIRYOP-RUZDIDTESA-N 499.658 3.845 10 10 JHCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cc(OC)ccc2OC)[C@H]1c1ccc(O)c(O)c1 526480359 LCVJWDNWHGNBKG-HSZRJFAPSA-N 477.469 3.959 10 10 JHCE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)O[C@H](C)C2 730480817 DYTHHFBQKWNUSF-YQOCOVSOSA-N 477.605 3.530 10 10 JHCE COc1ccc(N2CCN(C(=O)Cc3ccc(N(C)C(=O)COc4ccccc4)cc3)CC2)cc1 1858112044 GVXHBWRZQIDGLQ-UHFFFAOYSA-N 473.573 3.628 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4c(F)cccc4F)n4ccccc34)CC2)cc1 1858245156 OPEWTAJBVCTZFY-UHFFFAOYSA-N 491.498 3.836 10 10 JHCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Oc1ccc(CNC(=O)[C@H]2CCCO2)cc1 1858895432 NIOGBNIDBNNDNU-HSZRJFAPSA-N 470.481 3.868 10 10 JHCE CCCOc1ccc(CC(=O)N2CSC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861899998 FPYNHGGAPPOZGS-XMMPIXPASA-N 497.661 3.585 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864009649 JKKAEOAIRUXVJV-QFIPXVFZSA-N 496.995 3.966 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864013802 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JOMMYGNWYJSCIF-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE COC(=O)CCCCCN1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2314754288 OSOMXELQNWXCSD-UHFFFAOYSA-N 469.382 3.706 10 10 JHCE COc1ccc2c(c1)c(C=C1SC(=S)N([C@H](Cc3ccc(O)cc3)C(=O)O)C1=O)cn2C 2318684104 PTDMJWUAMIFAOX-LJQANCHMSA-N 468.556 3.790 10 10 JHCE CCN(CC)c1ccc(CN(CCN(C)C)C(=O)c2ccccc2C)c(OS(=O)(=O)CC)c1 34921501 DTDXLIKIRKSDCI-UHFFFAOYSA-N 475.655 3.774 10 10 JHCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 39716345 ADHSLZCRKXTXIJ-MDGUFXLVSA-N 496.614 3.611 10 10 JHCE CCc1cccc(OCC(=O)NCCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)c1 62050686 CIBFPHBMGLIVCB-XSFVSMFZSA-N 456.589 3.654 10 10 JHCE COc1ccc(N2CCN(c3ccc(N4C(=O)[C@H]5C[C@@H](C)CC[C@H]5C4=O)cc3[N+](=O)[O-])CC2)cc1 169694756 YUSXHOLQWZJZER-WTOYTKOKSA-N 478.549 3.856 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 205692199 GEQWVSXBVMVRQD-LICLKQGHSA-N 459.505 3.626 10 10 JHCE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@@H](C)CC)N[C@H]2c1cccc(OC)c1O 248159010 FOXHWKZLGGYSNM-OKWRXFFFSA-N 494.588 3.845 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N(CCc3ccccc3)Cc3cccnc3)CC2)cc1 743362480 DGUAPQYVFCLKMG-UHFFFAOYSA-N 473.621 3.667 10 10 JHCE Cc1c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)nnn1-c1cccc2c1CCN(C)C2 754534724 BDJDDWFCAUYMLJ-UHFFFAOYSA-N 477.524 3.591 10 10 JHCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1CCNC(=O)c1cccs1 1705574994 VGBMLRKGRFFMIA-UHFFFAOYSA-N 482.613 3.917 10 10 JHCE BrC1=CCCN(c2nnc(-c3cnccn3)n2CCCSc2nccs2)C1 1740532922 CLGCWDCWZXAWDY-UHFFFAOYSA-N 464.418 3.863 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(OC)c(OC)c3)c3ccccc3)CC2)cc1 1861933150 AXIGFUWJZUJJCA-AREMUKBSSA-N 489.572 3.532 10 10 JHCE CC[C@@](C)(NC(=O)COc1c(C)ccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862201283 ZMTZYJVBXVLWRT-HHHXNRCGSA-N 467.610 3.633 10 10 JHCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864014088 NBTGIBDYAYLJRE-JOCHJYFZSA-N 476.577 3.976 10 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WYNYCANLYOXRED-WOJGMQOQSA-N 480.868 3.630 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)/C=C/c3ccco3)CC2)cc1 1862270272 SSOCMTJKRIHWDR-SDQWYYNMSA-N 477.536 3.517 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OCCN1CCOCC1 1865665810 MYIBCCASAMZKST-KGENOOAVSA-N 455.942 3.866 10 10 JHCE CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867357206 YOXQYGWYPXFYBG-RPWUZVMVSA-N 481.597 3.513 10 10 JHCE CN(C)c1ccc(C(=O)NC(C)(C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867886844 VOZRDGAFFPPAGP-VWLOTQADSA-N 479.669 3.670 10 10 JHCE CN(C)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br 2294216803 BATZUIWWIOCEKR-UHFFFAOYSA-N 464.772 4.000 10 10 JHCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCCOC)C1=O 2296546419 XSKCNZCJLYICRP-UHFFFAOYSA-N 460.625 3.559 10 10 JHCE COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NCc1ccc(N(C)C)cc1)C2 8598145 IHUBILSHJGHILX-UHFFFAOYSA-N 460.534 3.892 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1 107923960 WIVINXOMOZTAJD-NDENLUEZSA-N 459.458 3.793 10 10 JHCE CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254817092 PPOVSVDUVDDZOP-SANMLTNESA-N 494.620 3.940 10 10 JHCE O=C1CCN(C(=O)Nc2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)CC1 586666093 YZJYLEVFCIHBOP-UHFFFAOYSA-N 467.481 3.911 10 10 JHCE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 728750420 XQBZRQJZKOGKGW-IBGZPJMESA-N 466.601 3.912 10 10 JHCE CC(=O)N1CCCN(c2nnc(COc3ccc(C)cc3)n2CCCSc2nccs2)CC1 1508231347 GNSYXFTUCRRVLV-UHFFFAOYSA-N 486.667 3.863 10 10 JHCE COC(=O)c1c(NC(=O)C(=O)NCCc2nc3ccccc3[nH]2)sc(C)c1-c1ccc(C)cc1 1860748493 BYFOXHCZYWGOQO-UHFFFAOYSA-N 476.558 3.992 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865028462 VPIUYMDNASPZEU-HSZRJFAPSA-N 476.577 3.994 10 10 JHCE O=C(CCc1c[nH]c2ccccc12)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868128745 DAUMLVMZQZQONP-UHFFFAOYSA-N 451.482 3.631 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@H](c5ccccc5)C4)nc(C)n3)CC2)cc1 1869299639 KORFFRYYVYXOMI-VWLOTQADSA-N 458.610 3.613 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(C(C)C)cc4)n(C)n3)CC2)cc1 1869969249 KJGNIXRQPDAVDX-VGOFMYFVSA-N 460.582 3.926 10 10 JHCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1CCS(=O)(=O)O 2296713432 BJYVQMXEGPXDGX-UHFFFAOYSA-N 489.575 3.767 10 10 JHCE CCC(=O)NCCc1c(C=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)[nH]c2ccccc12 2296940703 BYJZGBLNIFBACJ-UHFFFAOYSA-N 464.909 3.556 10 10 JHCE Cc1c(N2C(=O)C(=Cc3ccccc3C(=O)O)SC2=S)c(=O)n(-c2ccccc2)n1C 2297316480 MMLWWEUOJIQQKU-UHFFFAOYSA-N 451.529 3.588 10 10 JHCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(F)cc3)C2=O)cc1)C(=O)O 2314929152 IAZQOVRJHJTPAZ-MRXNPFEDSA-N 460.508 3.614 10 10 JHCE CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2ccc(N(C)C)cc2)CC1 8603334 DBGQSXUAQXQIQF-UHFFFAOYSA-N 494.661 3.871 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1ccccc1 20356342 RLYBIVYZQZVBEZ-ZCIRBWHOSA-N 475.530 3.587 10 10 JHCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 33288628 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CCCC[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868809083 FCQQXQZCDAAQLV-RUZDIDTESA-N 490.604 3.917 10 10 JHCE Cc1cc(O)c([C@@H](C2CC2)n2nc(C(F)F)c(C(N)=O)c2I)cc1C 2080052996 FEWNMEZNDUAANX-CQSZACIVSA-N 461.250 3.846 10 10 JHCE COCCCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C(C(=O)OC)=C1C 2297453935 DQLFIGYFHBSOBV-UHFFFAOYSA-N 478.545 3.722 10 10 JHCE CCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc21 2314717727 QSKRYNKRXIAXQP-UHFFFAOYSA-N 452.561 3.535 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccccc3C)C2=O)cc(OC)c1O 2314827408 DKCVLCJJBYPTGA-UHFFFAOYSA-N 458.561 3.948 10 10 JHCE O=C1c2ccccc2-c2onc3c(N4CCN(c5ccccc5F)CC4)cc(NCCO)c1c23 9612277 ZENJTXIQCRCARX-UHFFFAOYSA-N 458.493 3.909 10 10 JHCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 33071345 LJSXFQQYJBWHAX-MRXNPFEDSA-N 456.388 3.924 10 10 JHCE O=C1[C@@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)cc1 104865235 YVUMVGFQEZLHSM-ACRUOGEOSA-N 459.404 3.660 10 10 JHCE COc1ccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCCc4ccccc4OC)[C@@H]3C2)cc1 104915585 NZBGJEUKRSYGNW-VPUSJEBWSA-N 471.601 3.930 10 10 JHCE O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 727996973 ZCBNIFAAXIDMBM-UHFFFAOYSA-N 486.572 3.864 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(C(=O)c4cccs4)CC3)c([N+](=O)[O-])c2)c1 1860849705 VQJJAPTXURBYSL-UHFFFAOYSA-N 479.562 3.937 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864017239 IREUDSLEGLRTCF-QVKFZJNVSA-N 462.550 3.764 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865030186 FJFPUNIHVVSKCQ-JOCHJYFZSA-N 489.576 3.728 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030780 QWYCCAQFQGVGJL-JOCHJYFZSA-N 489.576 3.584 10 10 JHCE Cc1cccc(-n2nc(C(=O)NCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C)c1 1868139702 MBAHFPOBPVWSOG-UHFFFAOYSA-N 478.508 3.633 10 10 JHCE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCO1 2163089298 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COc1ccc(N2CCN(CCNC(=O)c3sc(COc4ccc(F)cc4)nc3C)CC2)cc1 742919718 DATZEUVIALCTSS-UHFFFAOYSA-N 484.597 3.730 10 10 JHCE CC(=O)N1CCN(Cc2ccccc2NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 1308374272 HUIAZQCHHLOWLQ-UHFFFAOYSA-N 451.571 3.861 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc(-c4ccccc4)n3)CC2)cc1 1867972180 PIWYEXPSOXJJAS-OAQYLSRUSA-N 459.594 3.688 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)C[C@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)cc1 1868721075 YTHVYJUTWVLMOQ-AREMUKBSSA-N 493.554 3.960 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3C[C@@H](C)O)CC2)cc1 1870484622 PCLKPRAEMWHJHA-OAQYLSRUSA-N 469.626 3.519 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3CCN(C)C)CC2)cc1 1870623700 NBHCEJJGOVBQDX-UHFFFAOYSA-N 490.648 3.628 10 10 JHCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873167546 LZBPVXNFLNEOIV-UHFFFAOYSA-N 493.696 3.837 10 10 JHCE COCCN1C(=O)C(NCCCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168574 AAPZRDRULNNCEL-UHFFFAOYSA-N 497.599 3.919 10 10 JHCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C(F)(F)F)c(C(=O)O)c1I 2079852833 BEHYONRCWNOFQB-VIFPVBQESA-N 470.185 3.918 10 10 JHCE O=C1C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2296724082 HLCWEPYEJOOPCS-UHFFFAOYSA-N 466.563 3.835 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 2297346700 UOHFBUOGNYREDJ-UHFFFAOYSA-N 481.262 3.814 10 10 JHCE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)c1C 2313558030 RCGULNALFMNGBS-UHFFFAOYSA-N 475.476 3.995 10 10 JHCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(C(=O)O)c1OC 2314929960 VIAFWQIBVNEONS-UHFFFAOYSA-N 478.935 3.602 10 10 JHCE COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 20154812 RGKUGSMRAOMHHA-WUVMMTAUSA-N 482.543 3.863 10 10 JHCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4ccc(NC(C)=O)cc4)ncn3)CC2)cc1 65133714 PXKLRECBAHYMJT-UHFFFAOYSA-N 492.605 3.501 10 10 JHCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)ccc1OCc1ccccc1 96460856 VUGOQLVECUUFQN-PUYZJMEQSA-N 498.586 3.674 10 10 JHCE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705945863 UEWARZQESZORPO-GOSISDBHSA-N 461.607 3.566 10 10 JHCE Cc1ccc(OCCCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)O)C3=O)c3ccccc32)cc1 1860826710 JOIBRCFQICMNIS-MRCUWXFGSA-N 482.583 3.857 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864007580 PVVNAWOBQOHKPJ-JOCHJYFZSA-N 478.549 3.602 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012847 KTBVDRXKESYTHL-QFIPXVFZSA-N 476.577 3.824 10 10 JHCE CCc1sc(NC(=O)CN2CCN(C)CC2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865786285 UFNPPKSIOPBKGA-UHFFFAOYSA-N 480.428 3.713 10 10 JHCE CCc1cccc(CC)c1N1C[C@@H](C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)CC1=O 1865925508 LQMATWDFAGXZHK-DHLKQENFSA-N 473.621 3.870 10 10 JHCE CNCc1nn(Cc2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1I 2079258884 OAPATBKEUSVDGF-UHFFFAOYSA-N 479.162 3.999 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCC(=O)NCCc3ccc(OC)c(OC)c3)C2=O)c1 2297482114 JSHXKHXJYFLNPG-UHFFFAOYSA-N 486.615 3.663 10 10 JHCE 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Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@@H]2c1ccc(O)c(O)c1 1865031928 RJKPNHZPHFVBCY-HSZRJFAPSA-N 494.551 3.778 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969667 IEKIGGLPQYGSON-UHFFFAOYSA-N 484.560 3.863 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4[N+](=O)[O-])n(-c4ccccc4)n3)CC2)cc1 1869970069 DTJABJQTYUKDJQ-UHFFFAOYSA-N 499.531 3.763 10 10 JHCE CCC(=O)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nn1-c1ccc(Br)cc1 1869970093 FCRDHSVQHPCWOH-UHFFFAOYSA-N 485.386 3.714 10 10 JHCE COCCn1cc(OCCCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870685976 HNJFFHBLHJTOFR-UHFFFAOYSA-N 491.632 3.837 10 10 JHCE CCOc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1873422067 DUAOZOWCIBMVNX-UHFFFAOYSA-N 486.572 3.821 10 10 JHCE COc1cccc([C@H]2[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)c1OC 1874016551 GFNSOXKDRXPPMN-DVECYGJZSA-N 484.508 3.637 10 10 JHCE CC(C)N1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3F)c3ccccc32)SC1=S 2296712167 GBGZITBRBVYVBE-UHFFFAOYSA-N 455.536 3.791 10 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CN(C)CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1cccs1 586215212 XKKOHPATWFXRDZ-UHFFFAOYSA-N 454.573 3.671 10 10 JHCE Cc1cc(CCNC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(C)n1-c1ccccc1 727032327 QDBTZWUCKAOGBF-UHFFFAOYSA-N 450.505 3.879 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1359351187 AZFIXPNSXJDSPK-UHFFFAOYSA-N 454.550 3.547 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864012062 QCHKNUSLVSTMQH-JOCHJYFZSA-N 480.540 3.791 10 10 JHCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864014063 MKFWDLTWMJAFCS-OAQYLSRUSA-N 486.613 3.674 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864021233 NSGBNVKRYURSJJ-OAQYLSRUSA-N 466.582 3.968 10 10 JHCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865025894 FBPFDNKEBABHIM-NRFANRHFSA-N 480.952 3.621 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865032652 HTJJFESUVSVCMU-JOCHJYFZSA-N 474.561 3.799 10 10 JHCE CCc1nn(CC)c2c1[C@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865334573 SFMAJLXIWAXRMH-QFIPXVFZSA-N 493.633 3.579 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871577693 XBNJPWOAUUJRDE-UHFFFAOYSA-N 499.594 3.854 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2053498218 VVJABWDNAGICIY-HOTGVXAUSA-N 496.614 3.611 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 2314490160 YHMCRBNTGIRZMY-UHFFFAOYSA-N 486.575 3.963 10 10 JHCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314935174 NCYSZBCSOWEPBO-MRXNPFEDSA-N 486.571 3.874 10 10 JHCE O=C(CCN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)O)c(O)c1 7016888 CKEWGJNHCHLNNL-NXGCWKMQSA-N 454.529 3.877 10 10 JHCE COc1cccc([C@@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O 20898524 AVIXYXXUPANJAW-QFIPXVFZSA-N 480.524 3.924 10 10 JHCE CCOc1ccccc1NC(=O)CSc1nccc(N2CCN(c3ccc(OC)cc3)CC2)n1 33309922 YRICZFHMDVOYBE-UHFFFAOYSA-N 479.606 3.941 10 10 JHCE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4c3N=S=N4)CC2)c(C)n1-c1ccccc1 247845801 SHJOINSQSZKRLQ-UHFFFAOYSA-N 481.603 3.967 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC 1084437011 CNNKJCYEVJICHT-ZSOIEALJSA-N 459.296 3.750 10 10 JHCE CCC[C@H](NC(=O)/C=C/c1ccc(OCC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862157559 RUUFMFIROKQXGV-QLHJLYHHSA-N 465.594 3.741 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864015881 FQDRDRZLGAFUEP-HXUWFJFHSA-N 462.550 3.838 10 10 JHCE COc1cccc(-n2nc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)c1 1866286978 KOCBULRNMDHWGT-VWLOTQADSA-N 489.620 3.573 10 10 JHCE CC(=O)c1ccc(N2C[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2=O)cc1 1871279479 YMPYZSQRLHMTMB-QGZVFWFLSA-N 452.466 3.656 10 10 JHCE CCCCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871560205 GBFKYHCDBXYCKY-UHFFFAOYSA-N 463.586 3.593 10 10 JHCE Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1C(=O)NN(c2ccccc2)C1=O 2293320638 AMBXZQDBSXUMHQ-UHFFFAOYSA-N 459.458 3.822 10 10 JHCE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 2314480521 FDPDAXMJFXPXHJ-KRWDZBQOSA-N 479.539 3.668 10 10 JHCE CCCC[C@H](NC(=O)C=Cc1ccc(OC)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2328514857 SXHFKRPFNBIARK-VWLOTQADSA-N 465.594 3.741 10 10 JHCE COc1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N1CCCC1 15203707 HKYIQAQSDJMFSL-UHFFFAOYSA-N 481.618 3.860 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(c4nc(-c5ccc(Cl)cc5)no4)CC3)CC2)cc1 21714260 OSZSBWQMFHKAJO-UHFFFAOYSA-N 481.984 3.964 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(OC)cc(OC)c3)c3ccco3)CC2)cc1 38598180 MEYPPVHTEIJABV-XMMPIXPASA-N 465.550 3.599 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCc1nnc(-c2ccccc2)o1 40324093 PCIQSUDITIEXBM-JXAWBTAJSA-N 482.562 3.826 10 10 JHCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCCc1c[nH]c2ccc(C)cc12 205945136 NVMLRMGVSROLGV-LFVJCYFKSA-N 475.505 3.757 10 10 JHCE COc1ccc(N2CCN(C(=O)COc3ccc4c5c(c(=O)oc4c3C)CCCC5)CC2)cc1 1860248469 PWSHOGFJTLMWRK-UHFFFAOYSA-N 462.546 3.716 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccccc3C(F)(F)F)CC2)cc1 1861925536 SGLXSKMOQMIMRP-OAQYLSRUSA-N 495.567 3.914 10 10 JHCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864008521 LWQJUOGUHYPJOX-OAQYLSRUSA-N 492.919 3.849 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873168441 VXEZTLBHFIYTBT-UHFFFAOYSA-N 489.620 3.866 10 10 JHCE COc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)cc(I)c1OCC(=O)O 2297505626 SNCVEVNZCURINY-UHFFFAOYSA-N 492.269 3.569 10 10 JHCE C[C@H](NC(=O)CN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S)C(=O)O 2314827627 JBZHYJGKNBHDLG-ZDUSSCGKSA-N 450.541 3.784 10 10 JHCE COc1cccc(C=C2SC(=S)N(CCNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 2320656392 MKDDLXLZEOWCFU-UHFFFAOYSA-N 469.544 3.634 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1C 59858374 IFWUBMKBDNVNIJ-NDENLUEZSA-N 474.477 3.593 10 10 JHCE 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N=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(N3CCCCC3)=NN12 2297352609 GFXJGNJQEQTPIY-UHFFFAOYSA-N 450.480 3.917 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 2297352647 JAKYJGQKZAKDKE-UHFFFAOYSA-N 486.960 3.796 10 10 JHCE COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1C 8800203 IGYDYVMZLGXTEF-DEOSSOPVSA-N 457.640 3.892 10 10 JHCE O=C(O)CCNC(=O)CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 15036547 PLRLNESQBUWBAD-UNOMPAQXSA-N 450.541 3.785 10 10 JHCE CCOCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCC(C(N)=O)CC2)SC1=S 38732799 FPVWQFCZVHVVOS-HKWRFOASSA-N 498.674 3.873 10 10 JHCE CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)c2C)cc1 96460970 ZONUIULXORMFHV-IEHORWCKSA-N 499.618 3.893 10 10 JHCE O=C(CCn1nnc2ccccc2c1=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 247958321 OVCOFIGHQPTHKC-SANMLTNESA-N 450.498 3.946 10 10 JHCE CCC[C@H](c1cc(I)cc(I)c1O)N1CCOCC1 575301161 PEACRZHCWYXVPI-CYBMUJFWSA-N 487.119 3.775 10 10 JHCE CN(CCC(=O)O)C(=O)c1ccc(NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 586692731 MQAWVFLEUUDEHM-UHFFFAOYSA-N 471.469 3.653 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(Cl)ccc4OC)cn3)CC2)cc1 1858437158 WDQCKXILESGDGZ-UHFFFAOYSA-N 488.997 3.880 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc4c(C)c(C)c(=O)oc4c3C)CC2)cc1 1860262265 IONIXDCPMDNCBI-LJQANCHMSA-N 450.535 3.843 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)CCCOc3ccccc3C)CC2)cc1 1862231636 XRMFKIYPCXEFMX-DEOSSOPVSA-N 465.594 3.502 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864016843 YMYXGZZBWHHAGC-KSFYIVLOSA-N 497.555 3.955 10 10 JHCE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)C1 1865031686 MBMCRLQALGXBHO-WHSLLNHNSA-N 474.561 3.697 10 10 JHCE CCC[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867775652 POTYIYYCSLMWFE-DQEYMECFSA-N 450.627 3.995 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 1868650556 PDRBVEBXVWEVFE-QGZVFWFLSA-N 496.995 3.708 10 10 JHCE CCCCOC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872825476 ZUMZWSYTZQHEIU-UHFFFAOYSA-N 482.606 3.969 10 10 JHCE O=C(NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)c1ccccc1Br 10672654 RQSQVTSUQIMITM-LICLKQGHSA-N 491.388 3.809 10 10 JHCE COc1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)NC1CC1 11085643 ICUPXAGKWCIJSK-UHFFFAOYSA-N 467.591 3.516 10 10 JHCE COC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(N3CCN(c4ccc(OC)cc4)CC3)nc2c1 33300518 CWBRQFRHEWAMBQ-UHFFFAOYSA-N 488.519 3.647 10 10 JHCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1[N+](=O)[O-] 33787616 HEVJZSQHAJEPJE-STZFKDTASA-N 491.529 3.759 10 10 JHCE CN(C)c1ccc(/C=C(/NC(=O)C(C)(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 39882048 YFGWDIFQYSKRNR-LDADJPATSA-N 455.471 3.711 10 10 JHCE CCSC1=NSC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12 96459440 OMHZFRKYSBUAII-PZNVHLGOSA-N 472.573 3.784 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 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19739674 GVJAWKGNTGWUTI-UHFFFAOYSA-N 494.661 3.753 10 10 JHCE COCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33795860 FXGVAINWSONZPU-SFQUDFHCSA-N 487.006 3.808 10 10 JHCE Cc1ccccc1-n1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)c1C 59271071 QVOOEKLBBDQRFG-RUZDIDTESA-N 460.490 3.961 10 10 JHCE COc1cc(C(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)cc(OC)c1OC 62694135 BZWOHOWCGZNSPS-UHFFFAOYSA-N 491.588 3.761 10 10 JHCE CCOc1cccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 250522416 UHNCJMHDKQCZEL-YTFSRNRJSA-N 467.477 3.780 10 10 JHCE CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)CC1 1084012702 JMHIUNKBWZZRJJ-JCMHNJIXSA-N 476.577 3.694 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)c3ccccc3)CC2)cc1 1861910535 UVJYDNBOBBMGCZ-RUZDIDTESA-N 488.544 3.732 10 10 JHCE CCCC[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861960338 LRLXAIKFZIDIBQ-HSZRJFAPSA-N 458.002 3.915 10 10 JHCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864011873 MDZQXJYLHRYXBZ-OAQYLSRUSA-N 482.968 3.771 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864017939 YVYRVUJOZLOURE-QHCPKHFHSA-N 482.540 3.857 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)N2CCCCC2)cc1 1866419231 BGPOBMIRUOXOSL-JOCHJYFZSA-N 454.521 3.829 10 10 JHCE CC[C@H](NC(=O)/C(C)=C/c1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868748579 HNHOZASNKIKBGW-SQAMQDMYSA-N 455.986 3.996 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(F)c4)n(-c4ccccc4)n3)CC2)cc1 1869970758 PIBPZYDJAGHZOY-UHFFFAOYSA-N 472.524 3.994 10 10 JHCE COCCCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870345870 QAMHJWYICDADMX-UHFFFAOYSA-N 495.595 3.934 10 10 JHCE COCCn1cc(OCc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870766249 IDOVNQNIIQASAW-UHFFFAOYSA-N 477.605 3.713 10 10 JHCE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNCc2cc(Cl)cc(Br)c2O)C1 2237802346 XWIDYBOTHFIENG-DJJJIMSYSA-N 461.784 3.924 10 10 JHCE CCOc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1 2296881609 QYWACSCGRSRNNU-UHFFFAOYSA-N 472.544 3.719 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(=O)c4ccccc4F)cc3)C2=O)cc1 2297364218 RNVSELCUPUVXEQ-UHFFFAOYSA-N 460.417 3.720 10 10 JHCE CN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)cc4)n3)cc21 11857487 SJJASIARIWKQSG-UHFFFAOYSA-N 480.365 3.729 10 10 JHCE CN(C)c1ccc(/C=C/CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)cc1 14749210 UFWHQUSUBGPREV-GQCTYLIASA-N 461.610 3.522 10 10 JHCE COc1ccccc1OCCCn1cccc1/C=C1\C(=N)N2N=C(N3CCCC3)SC2=NC1=O 20356398 WCVXYJMVRCLTPP-FHGPUEEUSA-N 478.578 3.638 10 10 JHCE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O 35225865 SYJUUXSKQZWNAL-CPNJWEJPSA-N 480.615 3.771 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N[C@@H](CO)Cc1ccccc1 97595312 KBRQQSUIVSMGHJ-HNMKQIAWSA-N 461.008 3.651 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(Cl)cc3)CC2)cc1 1861930470 WQSQTTQTIKFYIC-OAQYLSRUSA-N 462.015 3.549 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864009281 DIRSNDUDYKFTQR-OAQYLSRUSA-N 452.555 3.714 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033617 DSKBYTRXENJDHO-WBMJQRKESA-N 480.487 3.676 10 10 JHCE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4c(F)cccc4C(=O)O)cc3C2=O)cc1 1865884914 PFJKJCNTWWYGFC-UHFFFAOYSA-N 462.433 3.624 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCC(=O)c3ccc(C)cc3C)C(C)C)CC2)cc1 1868932292 ZBFADGNDMHNMHV-HHHXNRCGSA-N 479.621 3.765 10 10 JHCE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 2293779514 YAQDAOLLUCARQY-UHFFFAOYSA-N 476.577 3.725 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2296566859 UHXNRXFZLXNQFI-UHFFFAOYSA-N 472.453 3.639 10 10 JHCE C[C@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 2297366556 AXGRXXDVBKCUSH-IBGZPJMESA-N 484.556 3.704 10 10 JHCE CCOC(=O)COc1cc(C=C2C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC 2297459419 QDPSHMDGQVDVDZ-UHFFFAOYSA-N 452.463 3.532 10 10 JHCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCO)nc3ccccn3c2=O)SC1=S 33492859 NMPGELWVUAQIIT-WIZMWCRPSA-N 460.625 3.516 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)c3ccc(F)c(F)c3F)C2=O)c1 62060616 ZUXJDPUOPDOLOU-XNTDXEJSSA-N 452.479 3.744 10 10 JHCE NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 102792536 DDWZTMRTCXRDDY-HKOYGPOVSA-N 468.538 3.959 10 10 JHCE COc1ccccc1C(=O)N[C@H]1c2ccccc2C2(CCN(Cc3c(O)cccc3OC)CC2)[C@H]1O 207985963 NAEKKNBYVIPNSH-SVBPBHIXSA-N 488.584 3.789 10 10 JHCE C[C@H](Sc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 749751006 CCHYNPYUJPPGCE-AWEZNQCLSA-N 465.552 3.985 10 10 JHCE CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)C1 1596150014 NRRNPSGULGSUED-FQEVSTJZSA-N 452.647 3.917 10 10 JHCE CCOC(=O)c1oc2c(CN3CCCOC3)c(O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 1615247734 WIHHDOSGKOMLCF-UHFFFAOYSA-N 469.490 3.539 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@@H](C)C(=O)N4)c(C)s2)cc1OC 1859573678 XLGCCPYVFOZBRY-LLVKDONJSA-N 459.549 3.992 10 10 JHCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864018712 AYIYXVSOUOUKRT-NRFANRHFSA-N 492.576 3.582 10 10 JHCE C=Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869050617 CGYVTIKUPSHQMC-MHZLTWQESA-N 499.611 3.793 10 10 JHCE CC[C@H](C)NC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872824961 MDDWFWBNRVTCPL-KRWDZBQOSA-N 481.622 3.541 10 10 JHCE COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC(=O)N2C)cc1 1874179815 QTDHMFFSYFMJIU-RDPSFJRHSA-N 454.482 3.629 10 10 JHCE COC(=O)c1c(C)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079955544 BZOSNRWMCKLWGC-OAHLLOKOSA-N 458.296 3.932 10 10 JHCE COc1cc(C=CC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc(OC)c1OC 2297333658 GQXBMBZXFWQAOI-UHFFFAOYSA-N 476.577 3.973 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OC 2297334375 KELHPDDQCWEPGJ-UHFFFAOYSA-N 459.296 3.750 10 10 JHCE CC[C@H](Oc1cccc(C=C2SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)c1)C(=O)O 2314926769 RHOIYJKOWJOMFK-INIZCTEOSA-N 459.501 3.738 10 10 JHCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 1258783 OUMQFDZHKRFVJP-TYSUYXETSA-N 492.626 3.802 10 10 JHCE CC(C)Oc1ccc(C(=O)NCCN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 10672614 UYNSWEGNEUUHCL-UDWIEESQSA-N 470.572 3.834 10 10 JHCE CCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 40938033 UNSMREMSGAINKN-VXPUYCOJSA-N 452.557 3.758 10 10 JHCE C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59443007 RBFPFAZNUAKLKI-YYLLSARXSA-N 451.478 3.938 10 10 JHCE COc1ccc(N2CCN(c3cc(SCC(=O)Nc4cccc(C(C)=O)c4)ncn3)CC2)cc1 65133709 HGIQVSVPZKCBOM-UHFFFAOYSA-N 477.590 3.745 10 10 JHCE C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CCN(C/C=C\c1ccc(N(C)C)cc1)CC2 209512974 BXIUNBDRKXJLGV-AMZHIVGSSA-N 472.637 3.726 10 10 JHCE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 728745704 ITRPVRBESIOTSA-LJQANCHMSA-N 452.574 3.788 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccccc3OC)CC2)cc1 1862053724 YVZXOGPAYCYNCR-RUZDIDTESA-N 491.563 3.533 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864014264 QSPWLHOPLMGOMN-FQEVSTJZSA-N 454.571 3.800 10 10 JHCE COC(=O)c1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(C)c1-c1ccccc1 1866026654 VEDJBAIKALAKFY-UHFFFAOYSA-N 479.470 3.653 10 10 JHCE C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867801422 ABHPBKROEHHRSV-KKSFZXQISA-N 476.543 3.632 10 10 JHCE CC[C@@](C)(NC(=O)c1cccc(-n2cccc2)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868613927 QDRGPLKLQVCEBA-HHHXNRCGSA-N 460.578 3.733 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4cccs4)n(-c4ccc(Cl)cc4)[nH]3)CC2)cc1 1869970026 COSQEYLJVWERMU-UHFFFAOYSA-N 495.008 3.992 10 10 JHCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2295924421 XAHSRQRHECBXHY-UHFFFAOYSA-N 485.496 3.899 10 10 JHCE CN(Cc1cc(O)nc2ccccc12)C(=O)CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2296885203 IGKDYHXZUXAEFE-UHFFFAOYSA-N 467.547 3.939 10 10 JHCE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C2CCCC2)C1=O 2297461597 MNGDYQDTHSBFEN-UHFFFAOYSA-N 458.609 3.677 10 10 JHCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 2314650667 VORIXTPPSQPUDH-ZDUSSCGKSA-N 476.488 3.682 10 10 JHCE CC[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3F)C2=O)c1)C(=O)O 2314930614 GQCIGGHRWHOICD-MRXNPFEDSA-N 460.508 3.614 10 10 JHCE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 96460879 CVFUTYYQSDYYRK-IEHORWCKSA-N 482.587 3.974 10 10 JHCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3nccs3)c3ccccc23)SC1=S 1860827263 VPSHXZQCDAYPLV-MHWRWJLKSA-N 486.600 3.803 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c3ccccc3)CC2)cc1 1862287340 MYBAFSWXTVUHBX-RUZDIDTESA-N 488.544 3.732 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864009303 DQVBNFQZZBZQKU-IQMFZBJNSA-N 483.528 3.559 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1864020303 AGBIEKRAXGHABJ-ZTQAJYAQSA-N 454.571 3.656 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865032911 NTAWHKDESMJQCJ-ZHRRBRCNSA-N 474.561 3.799 10 10 JHCE COc1cc(OC)c2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c2c1 1866472044 SMVDUECTEJQODR-QHCPKHFHSA-N 478.593 3.568 10 10 JHCE COc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873420971 AESKNPHYBCSIKG-UHFFFAOYSA-N 458.562 3.856 10 10 JHCE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NCc2ccc(F)c(F)c2O)C1 2259426061 LOIZZZDHFMNLEW-UHFFFAOYSA-N 457.518 3.616 10 10 JHCE Cc1cccc(COc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)c1 2297345355 PISNCJPIXHSEHN-UHFFFAOYSA-N 488.978 3.849 10 10 JHCE O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=CNc1ccc(N2CCOCC2)cc1 2297358174 IQVRBCNSCGWSPD-UHFFFAOYSA-N 477.373 3.574 10 10 JHCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1)C(=O)O 2314929293 KPPQCJOAMJFYGB-KRWDZBQOSA-N 456.545 3.783 10 10 JHCE COC(=O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1281916 CVUOJLNSLAXIAA-ISLYRVAYSA-N 458.948 3.631 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OS(C)(=O)=O 3000671 YUARDWXOEDNQBC-GZTJUZNOSA-N 453.538 3.969 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccc(F)cc3)c3ccc4c(c3)OCO4)CC2)cc1 16953863 DGCIUTMNHPAHTH-DEOSSOPVSA-N 477.536 3.856 10 10 JHCE Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)cc1O)Nc1ccccc1-3 21658951 ZVFBOXKMYSIXPP-JOCHJYFZSA-N 466.497 3.621 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1/C=C/c1ccccc1 252665967 AAXNSNCLZXZSSA-CPPHVKKJSA-N 473.598 3.529 10 10 JHCE CC(C)Oc1ccc(S(=O)(=O)NC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1858609631 LBBRWJFHWXEWLK-UHFFFAOYSA-N 464.499 3.760 10 10 JHCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864022882 ZNBBYPLYKOVTKR-IBGZPJMESA-N 468.941 3.541 10 10 JHCE CC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868828855 PQRRJGIPTAGKGS-ZEVJAHDQSA-N 453.558 3.572 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cn(-c4cccc(C(C)(C)C)c4)c(=O)cc3O)CC2)cc1 1870130262 KRGCIMHEKRLBRQ-UHFFFAOYSA-N 461.562 3.812 10 10 JHCE COc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 2040520518 LRGAGQXSEIRUFN-UHFFFAOYSA-N 487.585 3.716 10 10 JHCE O=C1C(=Cc2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2053498405 YSFTVTLHZHBFBM-MRXNPFEDSA-N 470.620 3.819 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15035972 OJNXDBNAEFIDMJ-UNOMPAQXSA-N 486.571 3.808 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 15038010 PIXIFLKHWXHDNB-AQTBWJFISA-N 456.545 3.799 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3)c3ccc4c(c3)OCO4)CC2)cc1 20614518 DCEPRLPIRHGOON-DEOSSOPVSA-N 459.546 3.717 10 10 JHCE O=C(O)CCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 210658604 BDENCNGADQTPEG-GZTJUZNOSA-N 460.508 3.519 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cc(Cl)cc(Br)c3O)c2)CC1 1650945132 FOBZOQWLKXXTTI-UHFFFAOYSA-N 452.736 3.729 10 10 JHCE CC(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(N(C)C)cc2C)CC1 1722775842 SQJAXOUKQCZBNQ-DNQXCXABSA-N 482.673 3.678 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCN(C(=O)c4ccc(Cl)cc4Cl)C3)CC2)cc1 1858386044 AJSZAYSQZPGAOY-INIZCTEOSA-N 462.377 3.813 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864007177 HGZZTPYNMRAEES-VVWXKSFDSA-N 474.561 3.981 10 10 JHCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013658 YPSKFCNETWLMHH-NRFANRHFSA-N 480.540 3.653 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864017042 CZPUHAVQTSXGPI-NRFANRHFSA-N 462.550 3.703 10 10 JHCE CCN(CC)c1ccc2[nH]c(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(=O)c2c1 1866559487 DXXZXDWSEJTXJF-RUZDIDTESA-N 472.593 3.693 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H]4C[C@@H]4c4ccccc4Cl)n(C)n3)CC2)cc1 1869969553 QGWLPTGBLXWMOO-UXHICEINSA-N 466.973 3.546 10 10 JHCE C[C@@H](CNC(=O)OC(C)(C)C)[C@H](CN)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 1881347675 ZGBNZPBXIIPGKS-UWJYYQICSA-N 462.635 3.952 10 10 JHCE COc1ccccc1-c1nn(-c2ccccc2)cc1C=CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 2040438883 LEOQSOIJJGOCKK-RUZDIDTESA-N 480.524 3.841 10 10 JHCE COC(=O)c1c(C)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079957394 OMVLLZSPICBZLZ-MRXNPFEDSA-N 456.280 3.686 10 10 JHCE CO[C@@]12C[C@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 643201 YSEXMKHXIOCEJA-BXKTYXQLSA-N 484.394 3.911 10 10 JHCE CCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)s1 6574338 WCUFWMZXVQAJKS-RVDMUPIBSA-N 478.621 3.738 10 10 JHCE COc1ccc(-c2ccc(N3CCC(C(=O)N4CCN(c5ccc(OC)cc5)CC4)CC3)nn2)cc1 22491133 QBIVIOPELWBZLA-UHFFFAOYSA-N 487.604 3.726 10 10 JHCE COc1ccc(N2CCN(c3ccnc(SCC(=O)Nc4ccc(F)cc4)n3)CC2)cc1 33309931 YZNJPWAEQUIZNX-UHFFFAOYSA-N 453.543 3.682 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nc5ccc(OC)cc5s4)C3)CC2)cc1 90509418 JZMIUWQWEKKSGU-GOSISDBHSA-N 466.607 3.879 10 10 JHCE COCCN1CCCCC[C@@H](O)c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 257176877 AUCOWHGEONNTGQ-AREMUKBSSA-N 467.610 3.718 10 10 JHCE O=C1[C@H]([C@@H]2SC(=S)N(CCc3ccccc3)C2=O)SC(=S)N1CCc1ccccc1 606671892 BGMIHZUDLIHLLA-ROUUACIJSA-N 472.682 3.930 10 10 JHCE CC(=O)c1ccc(CCNC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1546115479 GYWVKINRQKLLHV-ZHZULCJRSA-N 456.564 3.979 10 10 JHCE CC(=O)N1CCCN(c2nnc(Cc3ccccc3C)n2CCCSc2nccs2)CC1 1749834956 APSYHXZSAYRKCI-UHFFFAOYSA-N 470.668 3.875 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N4c5ccccc5C[C@H]4C)c4ccccn34)CC2)cc1 1858242921 IIMHYGOVQIUEOJ-HXUWFJFHSA-N 495.583 3.897 10 10 JHCE COc1ccc([C@H](CN2C(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)N(C)C)cc1 1858593938 FAUJBWJOILEGEM-WAKXPGHKSA-N 489.575 3.822 10 10 JHCE CC[C@](C)(NC(=O)/C=C/c1cccc(Cl)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862141895 MWVSPHYJKSIFGH-UJZCAVEWSA-N 455.986 3.996 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864016684 VMABZOAOTBGMDY-IBGZPJMESA-N 474.542 3.571 10 10 JHCE Cc1cc(Br)cc2c(=O)c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)c[nH]c12 1866460307 SDYNJSHYMXZUNH-NRFANRHFSA-N 494.393 3.918 10 10 JHCE COc1ccc(N2CCN(C(=O)CNC(=O)[C@@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1868849177 RDSWNZQQWXJNFV-HSZRJFAPSA-N 488.426 3.662 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)Nc4ccccc4C)cc3)CC2)cc1 1872719260 WRDPPGXFXSWZOG-UHFFFAOYSA-N 495.601 3.532 10 10 JHCE CCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1874642308 AQWSXCKRQVWDBN-VWLOTQADSA-N 462.594 3.743 10 10 JHCE CCCCN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S 2053493231 HIHHQDKHAWBOLQ-HOTGVXAUSA-N 472.636 3.618 10 10 JHCE Cc1ccc(C(C)C)c(OCC(=O)NN2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)c1 3079172 YABPKZSZHYBPHC-VXPUYCOJSA-N 467.572 3.752 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc(Br)c1O 38170766 YZEWYKXIRPIKNL-WUXMJOGZSA-N 451.273 3.974 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=C3CCCC3)C(=O)N4C)CC2)cc1 45895204 VHQXBLJRFUGGJY-UHFFFAOYSA-N 467.591 3.510 10 10 JHCE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)CC2)cc1 96310883 FWRFHTJJKWPVHG-CPFIRTDXSA-N 477.483 3.676 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2ccccc2I)c2nccn2C)cc1 1865870836 UEKMSFUFZCAIAM-GOSISDBHSA-N 460.319 3.610 10 10 JHCE CCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2296712148 BHZAZPDAMOTPEU-UHFFFAOYSA-N 457.964 3.917 10 10 JHCE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br 2297322409 WGEDSBDESDSLDZ-UHFFFAOYSA-N 451.729 3.942 10 10 JHCE CCOC(=O)N1CCN(C(=O)CCCCCN2C(=O)C(=Cc3ccccc3)SC2=S)CC1 2297477424 HOWSEYRQXHPSER-UHFFFAOYSA-N 475.636 3.749 10 10 JHCE CCOc1cccc(N2C(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1 2313565101 ROBHWVKQXVQHLC-UHFFFAOYSA-N 490.379 3.872 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(O)cc3)SC2=S)cc1 2314827478 FYAVZKAEMJDYOD-UHFFFAOYSA-N 456.545 3.799 10 10 JHCE CCN(CC)c1ccc(C=c2sc3nc(CCCOc4ccc(OC)cc4)nn3c2=O)cc1 2326202876 HQSVGLDTVDHBEH-UHFFFAOYSA-N 464.591 3.565 10 10 JHCE Cc1ccccc1OCCCn1cccc1/C=C1\C(=N)N2N=C(N3CCCC3)SC2=NC1=O 20356402 GFFKPQFOCIVSSB-MTTFDBCOSA-N 462.579 3.938 10 10 JHCE Cc1cc(C(=O)N2CCN(c3ncccc3Cl)CC2)c(C)n1-c1ccc2c(c1)OCCO2 109445265 VDMAPGAGVMHZEE-UHFFFAOYSA-N 452.942 3.876 10 10 JHCE COc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)[C@H](NC(C)=O)CCO4)cs2)cc1OC 170549533 UQZNUPMYZMXEBQ-QGZVFWFLSA-N 489.575 3.588 10 10 JHCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(O)cc2C(=O)O)C1=O 210494266 ITKMWWHDTSIKIB-BUHHDHKDSA-N 454.529 3.877 10 10 JHCE COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 504757636 OSDYQSLUUNTVAC-XVOBZGQLSA-N 465.509 3.652 10 10 JHCE biogenic CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)CC1 1616252586 UDQWBJSYRDXREO-UHFFFAOYSA-N 456.546 3.537 10 10 JHCE COc1ccc(N2CCN(C(=O)CCN(Cc3ccncc3)C(=O)OC(C)(C)C)CC2)cc1 1858128071 SRRUBWROYMJNSF-UHFFFAOYSA-N 454.571 3.566 10 10 JHCE COc1ccc(-c2cc(C(=O)NCCc3ccc(O)c(O)c3)nc3c4ccccc4nn23)cc1 1860373239 UQDYRFQJPLOZCW-UHFFFAOYSA-N 454.486 3.942 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1861926099 WXHDKSXUIHIXLW-OAQYLSRUSA-N 461.484 3.667 10 10 JHCE CC[C@@](C)(NC(=O)c1ccccc1OCC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862056336 WEUJIXMTJHUWQT-HHHXNRCGSA-N 467.610 3.977 10 10 JHCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864013340 WIGNMWZQBCUTOS-JOCHJYFZSA-N 494.567 3.901 10 10 JHCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030111 CNNJWKFEWWZIOE-QFIPXVFZSA-N 492.551 3.751 10 10 JHCE CC(=O)Nc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c2c1 1866520774 VDAREWGKOOOJHK-RUZDIDTESA-N 475.593 3.510 10 10 JHCE CCCN(CCC)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)n1 1868604477 JUSQZBYBNQSWRR-AREMUKBSSA-N 495.668 3.820 10 10 JHCE COc1ccc([C@H](C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)C(C)C)cc1 1868847616 IGXRCRRZVQQFMZ-FTJBHMTQSA-N 481.637 3.933 10 10 JHCE COCCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420720 UXDIOPOEBZIRRO-UHFFFAOYSA-N 473.529 3.719 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)Nc3cc(F)ccc3F)cc1C2=O 1873889341 BLXMTYVDISMTRT-UHFFFAOYSA-N 479.391 3.843 10 10 JHCE CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874017767 VRVJCNFFLZXXBS-HJPURHCSSA-N 476.554 3.794 10 10 JHCE O=C(NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)c1ccc(Cl)cc1F 2042449813 RXKUGTRHHFCTDU-UHFFFAOYSA-N 464.927 3.839 10 10 JHCE CC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc4c(c3)OCO4)SC2=S)cc1 2296881507 LNKBSEOSLMYTQO-UHFFFAOYSA-N 454.529 3.848 10 10 JHCE CCCCN1CCc2cc(C=C3C(=O)NC(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)ccc21 2296934976 VKOCVYOUDSHGAX-UHFFFAOYSA-N 477.561 3.571 10 10 JHCE O=C1NN(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccccc2C(=O)O)o1 2297336947 MDWJKALCGGIXQQ-UHFFFAOYSA-N 453.248 3.869 10 10 JHCE COc1cc(C=C2C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1 2297352810 YVSDTUCUCDMRIQ-UHFFFAOYSA-N 479.518 3.570 10 10 JHCE CCOC(=O)c1c(NC=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)sc2c1CCCC2 2297559532 GMKKXIZPFSTXNE-UHFFFAOYSA-N 473.551 3.686 10 10 JHCE O=C1/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 1121266 KTGFNUFZXQWMOL-LSPINASFSA-N 496.589 3.826 10 10 JHCE COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 8979839 UKBAJWIQBXNAKC-OAQYLSRUSA-N 492.601 3.791 10 10 JHCE Cc1ccc(COc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2Cl)cc1 20208032 DJVBXJAFCONKRY-MRDWGVERSA-N 488.978 3.849 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)CC2)cc1 20441550 YYBDIJLGBFZCCM-RUZDIDTESA-N 451.592 3.537 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)c1 35363337 OZQHMRMQRYSEKF-NDENLUEZSA-N 459.458 3.793 10 10 JHCE CCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C)o2)cc1 103738180 KYODDDOFOZXJDK-PXLXIMEGSA-N 493.541 3.967 10 10 JHCE CC1(C)C(=O)Nc2ccc(-c3csc(NS(=O)(=O)c4ccc5nc(O)oc5c4)n3)cc21 1859573832 VDTKCHBNZKEDIQ-UHFFFAOYSA-N 456.505 3.687 10 10 JHCE CCC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861996455 HTIJFMBGHVENHZ-RPLLCQBOSA-N 492.664 3.541 10 10 JHCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864008337 IKEFMOHSJODTHU-LFVRLGFBSA-N 474.561 3.591 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030669 OKEMOBWDIJDFTD-KSFYIVLOSA-N 489.576 3.584 10 10 JHCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031226 BVBKQMRPLMIWSK-FQEVSTJZSA-N 462.550 3.842 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865031551 JIFPZVPRBCAAPQ-KKSFZXQISA-N 474.561 3.934 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c2nccn2C)cc1 1865861443 AKKPWQSGJPORKZ-GOTSBHOMSA-N 477.609 3.828 10 10 JHCE CN1CCc2cc([C@@H](O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)ccc21 1917177951 TVNQIMQKIWOQTA-JWQCQUIFSA-N 458.514 3.704 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(NCCCn3ccnc3)nc3ccccn3c2=O)SC1=S 2040498370 IOXPDSUXHQNLIT-UHFFFAOYSA-N 482.635 3.785 10 10 JHCE CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(N)cc2)CCN1C(=O)OC(C)(C)C 2044668478 GRDOYIARDPQNKS-UHFFFAOYSA-N 450.580 3.743 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c1 2293999020 QVJPBNYOHAIKAX-UHFFFAOYSA-N 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460.650 3.557 10 10 JHCE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(F)cc3)C(=O)c3ccccc3C2=O)cc1 253567792 KLOOYHHFOBRSHL-BDTNDASRSA-N 455.441 3.829 10 10 JHCE CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(Cc4cccnc4)CCC(=O)NCC3)cc2)CC1 257181011 MIUDNQYSSHUGFC-AREMUKBSSA-N 491.680 3.743 10 10 JHCE COc1ccc(N2CCN(Cn3nc([C@@H](C)N(C)C)n(-c4ccc(F)cc4)c3=S)CC2)cc1 1086924728 TWUXASGFMQZPLT-GOSISDBHSA-N 470.618 3.953 10 10 JHCE CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCSc2nccs2)[C@@H](C)C1 1508252463 FQYQNUFCRYSJNQ-HNNXBMFYSA-N 492.621 3.843 10 10 JHCE CN(C)c1cccc(NC(=O)c2ccc(N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)c1 1860830280 WRLNTDGHGYJVFT-UHFFFAOYSA-N 464.591 3.516 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 1862122032 XCCOUBXJTMCRPN-OAQYLSRUSA-N 457.574 3.681 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864017897 XVXHBDDSWSPXNA-QFIPXVFZSA-N 474.561 3.908 10 10 JHCE CSCC[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)n1c(O)nc2ccccc2c1=O 1874016645 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10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@@H]2c1ccc(O)c(O)c1 1864016765 WUWIRTPKMWDXMN-OAQYLSRUSA-N 486.503 3.648 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864017463 MUEPTIADZNEVMP-OAQYLSRUSA-N 462.550 3.621 10 10 JHCE CCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864018799 QYYMKIAEEFNPLE-MWTRTKDXSA-N 497.555 3.813 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864021200 MXDGKZQGPHEVHN-VFNWGFHPSA-N 462.550 3.839 10 10 JHCE CCc1nn(CC)c2c1[C@@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865334571 SFMAJLXIWAXRMH-JOCHJYFZSA-N 493.633 3.579 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 1870554189 WJSNIJMNXSTETR-RUZDIDTESA-N 483.996 3.575 10 10 JHCE CCCCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873168160 KZHRDWMVDZGPHR-UHFFFAOYSA-N 478.637 3.676 10 10 JHCE COCCN1C(=O)C(Nc2cc(OC)cc(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873419919 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CC(=O)N(C)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)cc2C)CC1 1741009811 PQIQAVUQMUQNQX-UHFFFAOYSA-N 482.032 3.863 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCC3CCCCC3)cc2)cc1 1859005146 VQSGMWCGTLOZJD-UHFFFAOYSA-N 473.595 3.765 10 10 JHCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865028380 SXZKQEOMGXKWLP-QMHKHESXSA-N 474.561 3.747 10 10 JHCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCCCC2)=C(N)O3)cc1 1865034299 SUDLBGXGLIWODW-OAQYLSRUSA-N 490.560 3.604 10 10 JHCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865034433 WKDHXQWMGHZZBF-OAQYLSRUSA-N 490.560 3.697 10 10 JHCE CNC(=O)COc1cn(CCCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871020626 GHFMYVXFSLPAOT-UHFFFAOYSA-N 478.593 3.882 10 10 JHCE CCOCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871525556 HITJSJVHJQFZJB-UHFFFAOYSA-N 491.640 3.828 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871669438 DNBSJOIXUWJSKD-UHFFFAOYSA-N 475.641 3.869 10 10 JHCE C[C@H](N(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C(C)(C)O 2180672294 CABPGNSFKADTNG-PXNSSMCTSA-N 472.582 3.722 10 10 JHCE CCc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)c1C 2297352581 CSNFFHDOQLRDOC-UHFFFAOYSA-N 462.579 3.565 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1 20208187 IDUWZRVFIIZOHR-PHUGZFJGSA-N 468.560 3.838 10 10 JHCE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(C(C)C)C3=O)c(=O)n2c1 35363096 XWIIUAPSIKOSFZ-GZTJUZNOSA-N 460.625 3.840 10 10 JHCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)Cc3ccc(Cl)cc3)c3ccco3)CC2)cc1 38619309 CNACVBMKYWNDOA-QHCPKHFHSA-N 490.025 3.925 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(NC(=O)COc3ccc(Cl)cc3)C2=O)cc1OC 40844438 RGQNOOMYCZBTNR-LICLKQGHSA-N 464.952 3.669 10 10 JHCE COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CCN(c4ccc(OC)cc4)C[C@H]23)cc1 96456831 UUAQHJIOIPZGRF-XTEPFMGCSA-N 471.601 3.930 10 10 JHCE C[C@@H]1CN([C@H](CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c2c(F)cccc2Cl)CCO1 251548670 BCJSXUTXUFLMNI-ZVUVTMFDSA-N 488.003 3.907 10 10 JHCE CCOc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OC 1084025861 CKFYVMKJAGSPQW-WJDWOHSUSA-N 473.323 3.561 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)c3ccccc3Br)cc2)CC1 1296400061 NZYCZLIWDHJYPK-UHFFFAOYSA-N 458.400 3.712 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C)o3)n2CCCSc2nccs2)C1 1301653019 NPTFOIRFHVPJBZ-QGZVFWFLSA-N 460.629 3.790 10 10 JHCE CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 1443541620 SYANLLKYLPZBLI-YLXJWSIRSA-N 459.571 3.900 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc(C(=O)O)cc2)nc1-c1ccc2c(c1)CCCC(=O)N2 1859570516 QTPCRKSBWFHHHY-UHFFFAOYSA-N 457.533 3.892 10 10 JHCE CCS(=O)(=O)c1ccc(O)c(N=c2nc(C)[nH]c3sc(C(=O)OCC(C)C)c(C)c23)c1 1860397662 AGTWCORHKPMVCV-UHFFFAOYSA-N 463.581 3.786 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027792 LDJHPUAOTNDVCZ-NPMXOYFQSA-N 490.560 3.696 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033696 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459.501 3.738 10 10 JHCE CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N3CCCC3)ccc21 9135615 JRXPHVFQTXVXFA-JOCHJYFZSA-N 490.526 3.859 10 10 JHCE CS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2S1 20207669 IUUFSTMDSNLODL-JJJWLNEWSA-N 474.951 3.540 10 10 JHCE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39990029 LIKFUJRMXZRFPD-ZHZULCJRSA-N 488.679 3.912 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 62060431 MKDDLXLZEOWCFU-AOEVHAJLSA-N 469.544 3.634 10 10 JHCE CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(N3CCOCC3)c(F)c1)O[C@@H](C)C2 730481217 HWVPPTJPYOMKFF-NBHGPNQESA-N 454.542 3.804 10 10 JHCE CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)cc1F 731345870 KRELKCUBZPGIAU-UHFFFAOYSA-N 462.522 3.870 10 10 JHCE CC(=O)N1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCN(C)C(C)C)CC1 1286862001 KVFDHNFMFIWYGL-UHFFFAOYSA-N 477.657 3.751 10 10 JHCE CC[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862259209 XALPLUDKBQNNNS-HXUWFJFHSA-N 450.366 3.859 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1865028750 ZRLYYXFGIVZYKU-HJPURHCSSA-N 474.561 3.996 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865035367 RRTWDSGKTVIFPJ-OAQYLSRUSA-N 468.598 3.998 10 10 JHCE CCOC(=O)CCCOc1cn(CC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870370320 UMZKAGHFFUUUHE-UHFFFAOYSA-N 485.625 3.557 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873166680 WBVDLJLGIYWAHB-QHCPKHFHSA-N 456.546 3.538 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccc(F)cc3)n4C)CC2)cc1 1873650818 XKRMERKURKXKNQ-UHFFFAOYSA-N 460.513 3.695 10 10 JHCE CC(C)C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccncc2C1=O 1874179213 UDDVQTINPYCRFY-NRFANRHFSA-N 467.481 3.506 10 10 JHCE O=C(CCCCCn1nnc2ccccc2c1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179675 KLLPMCXWCKNAAE-UHFFFAOYSA-N 466.497 3.766 10 10 JHCE CCc1nn([C@H](c2ccc(OC)cc2O)C2CCC2)c(I)c1C(=O)OC 2079987061 RKYAORGRUZNPKH-KRWDZBQOSA-N 470.307 3.940 10 10 JHCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 2297330241 MHFJJUFBSBSNEX-UHFFFAOYSA-N 493.541 3.965 10 10 JHCE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 33812651 PFNJDYMKVJBDAH-HKWRFOASSA-N 487.695 3.582 10 10 JHCE CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=N)N21 96460698 BVQKWANUHWANFY-IEHORWCKSA-N 482.587 3.913 10 10 JHCE O=C1Nc2cc(Cl)ccc2[C@@H]1C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 727478726 YDTQAFLCBQATQV-QHCPKHFHSA-N 468.985 3.834 10 10 JHCE Cc1cc(-c2csc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)n2)c(C)n1-c1ccc(F)cc1 1086873800 RFQWZRWODVWFMR-UHFFFAOYSA-N 497.577 3.793 10 10 JHCE C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1538661994 KNFYDRKELXUXTP-SQFISAMPSA-N 453.391 3.948 10 10 JHCE CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1858074829 SMVCRDAANWSFIH-RUZDIDTESA-N 486.682 3.740 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(C(C)=O)cc4)c4ccccn34)CC2)cc1 1858232087 CJLBJTHKJFLIAE-UHFFFAOYSA-N 497.555 3.760 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1864008843 TVQKIKGTDVYIAL-LJQANCHMSA-N 499.365 3.575 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864009054 YKSSULZBPXJELZ-RUZDIDTESA-N 496.567 3.954 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2295927369 DPQVFGKVTKCUBF-UHFFFAOYSA-N 462.936 3.974 10 10 JHCE N=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2296056351 IXLVGXPANVDDTQ-UHFFFAOYSA-N 492.517 3.877 10 10 JHCE O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)Nc1ccc2c(c1)OCO2 2296885475 WJXTZICLZSQARG-UHFFFAOYSA-N 470.528 3.764 10 10 JHCE CN(C)c1ccc(CN(C[C@@H](O)COc2ccc(Br)cc2)C[C@H]2CCCO2)cc1 256039181 WSOIJNCZPSKNJR-FYYLOGMGSA-N 463.416 3.936 10 10 JHCE CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)o2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 263631921 DFESKPRSKXVPCJ-RUZDIDTESA-N 498.608 3.841 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCSc2nccs2)CC1 1741044091 YSNZPFPUTOWHFU-UHFFFAOYSA-N 463.032 3.906 10 10 JHCE CC(C)C[C@@H](CO)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1860347335 KHAXQQRKSTZEQY-UZTOHYMASA-N 474.605 3.702 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C(F)(F)F)n(-c4ccccc4Cl)n3)CC2)cc1 1869969582 QUPKAACVWCUPDI-UHFFFAOYSA-N 480.878 3.757 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCc4ccccc4)cc3)CC2)cc1 1872719204 XJRPULGXRBSBCW-UHFFFAOYSA-N 452.576 3.828 10 10 JHCE CN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2296712156 DBQDBYNFVNIQST-UHFFFAOYSA-N 488.388 3.636 10 10 JHCE Cc1ccccc1OCCCn1cccc1C=C1C(=N)N2N=C(N3CCCC3)SC2=NC1=O 2297352608 GFFKPQFOCIVSSB-UHFFFAOYSA-N 462.579 3.938 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=CC=Cc3ccccc3)SC2=S)cc1 2314831322 IKKBOFLLRDIBKA-UHFFFAOYSA-N 487.628 3.510 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 2314936488 YOZGHWRGJDVMCO-UHFFFAOYSA-N 494.497 3.922 10 10 JHCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 33794588 HYQOSKUCZBWOQQ-SFQUDFHCSA-N 481.555 3.780 10 10 JHCE CN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 35387867 UUZLQXXOXJZVSR-CCEZHUSRSA-N 469.382 3.642 10 10 JHCE CN1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cc(Br)ccc1O)N2 65298141 UWNIVYIXUXFUIV-SFHVURJKSA-N 458.356 3.829 10 10 JHCE biogenic COC(=O)c1c(C)sc(-c2c(-c3ccc4cc(OC)ccc4c3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 86076771 GVWMOLPQPJRPSO-UHFFFAOYSA-N 491.525 3.913 10 10 JHCE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)/C=C\c1c(C)nn(Cc2ccccc2Cl)c1C 96313885 DVIGWSXIXVRUCB-LUAWRHEFSA-N 485.009 3.712 10 10 JHCE O=C(O)CCNC(=O)CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 210703327 FOXNAUILHCNZCG-NBVRZTHBSA-N 456.545 3.661 10 10 JHCE COCCN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)NC1=S 254513562 GQDINBULKNWSMK-WJDWOHSUSA-N 471.941 3.755 10 10 JHCE COc1cccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)c1OC 526157855 BVIMWXNYGJBALB-HSZRJFAPSA-N 477.469 3.943 10 10 JHCE CCN1C(=O)/C(=C\c2cn(CCCOc3ccccc3OC)c3ccccc23)C(=O)NC1=S 1084397720 IJJARFNQMGWUAD-CYVLTUHYSA-N 463.559 3.766 10 10 JHCE C#CCN(CC#C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1ccc(OC)nc1 1705574988 VDPNGZZFBXRSFK-UHFFFAOYSA-N 450.546 3.877 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCSc2nccs2)[C@H](C)C1 1722783735 BPDWNMHMMCSXSF-OAHLLOKOSA-N 487.611 3.549 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)O)sc(C)c1-c1ccc(F)cc1 1860758950 OQIUFIYQGJGDCW-HNNXBMFYSA-N 464.515 3.593 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864009219 CIQLVROWSGZRID-QHCPKHFHSA-N 489.576 3.911 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864014530 XKZKEQWHYIUTKM-NRFANRHFSA-N 486.613 3.529 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864017587 PIWBCLBOSAMBHG-OAQYLSRUSA-N 462.550 3.765 10 10 JHCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865032601 GTQVVYCILXIUKY-HXUWFJFHSA-N 480.952 3.816 10 10 JHCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865035423 TUWOXZKZVXAQMR-QFIPXVFZSA-N 474.561 3.941 10 10 JHCE C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866937055 SSEBNMZDALHPFL-LVXYXVKQSA-N 456.473 3.848 10 10 JHCE COc1cccc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867384712 PPYTXQVAEXLIHU-XMMPIXPASA-N 466.626 3.613 10 10 JHCE CCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3)n2)CC1 1867972063 PURGEYWKONRKPF-UHFFFAOYSA-N 458.610 3.621 10 10 JHCE CCCCOCCCn1cc(OCC)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870361436 FNNMVSMTFLOSLR-UHFFFAOYSA-N 457.615 3.785 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871672159 VVFFERGMQJMYGX-UHFFFAOYSA-N 485.592 3.616 10 10 JHCE COc1ccccc1CCN1C[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1=O 1874179062 KZYPJNKGOIBKPV-SFHVURJKSA-N 468.509 3.500 10 10 JHCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CN=c1[nH]nc(-c2ccc(Cl)cc2Cl)s1 2297511367 FWBYVXFOILQWEW-UHFFFAOYSA-N 460.302 3.513 10 10 JHCE COC1(CCNCc2ccc(C)c(Br)c2O)CN(C(=O)OCc2ccccc2)C1 2352669051 AEYJZVPHLFVACF-UHFFFAOYSA-N 463.372 3.980 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCCc1ccccc1 3890187 SIJQWIBQOISDDN-XQNSMLJCSA-N 491.569 3.770 10 10 JHCE C[C@@H](C(=O)NCCC(=O)O)N1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15047895 YRWLMRJWWSPFBE-RVAQLADHSA-N 456.545 3.660 10 10 JHCE CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3nc4cc(Br)ccc4[nH]3)C2)cc1 33071347 LJSXFQQYJBWHAX-INIZCTEOSA-N 456.388 3.924 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Br)ccc3C3CC3)cc2)CC1 1567591252 BZGNTXJXBIALAR-UHFFFAOYSA-N 456.384 3.925 10 10 JHCE Cc1cc(I)ccc1/N=N/N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860486573 JLEFCRGYXSZUIQ-FMQUCBEESA-N 452.256 3.724 10 10 JHCE COc1ccccc1OCC(=O)N1CCC(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 1860591215 MIEGIDZTNYLDJC-UHFFFAOYSA-N 498.535 3.727 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc(Cc4ccccc4)n3)CC2)cc1 1867946194 IILWGMMVAORPBU-HSZRJFAPSA-N 473.621 3.611 10 10 JHCE CCCc1nc(N(CCC)CCC(=O)OCC)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867970766 IOAGAWYVHRVIOE-UHFFFAOYSA-N 469.630 3.934 10 10 JHCE CCN(CC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccco1 1873564055 ZZENJEOELTYPAP-UHFFFAOYSA-N 488.592 3.890 10 10 JHCE COc1ccc([C@H](C(C)C)n2nc(C(F)(F)F)c(CN)c2I)c(O)c1 2079857920 HZNVTQBZGLIDBZ-ZDUSSCGKSA-N 469.245 3.925 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 2313559681 LVZBLBFQDFGVCI-UHFFFAOYSA-N 450.632 3.677 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)ccc1O 2313560751 FQFKJMFSHOPFRU-UHFFFAOYSA-N 466.085 3.584 10 10 JHCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2OCc2ccccc2Cl)SC1=S 2314541357 KJKBDGMEQPNPMH-MRXNPFEDSA-N 490.990 3.839 10 10 JHCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc1)C(=O)O 2314929329 LDFQLCLDQNPRIF-KRWDZBQOSA-N 456.545 3.783 10 10 JHCE COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1C 11857733 LUORDTUEQIYEPI-ZDUSSCGKSA-N 459.549 3.956 10 10 JHCE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1 33329949 MSJCWXMHIKSMGU-QZQOTICOSA-N 481.599 3.908 10 10 JHCE C[C@H](Oc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1)C(=O)O 33714171 XTAQVVSCZZOVMV-OKHBPPCESA-N 475.320 3.973 10 10 JHCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(C2CCCC2)C1=O 33781130 PRJQYNVXQNEVIT-QGOAFFKASA-N 472.636 3.985 10 10 JHCE COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCC(=O)NCc2ccco2)cc1 100276006 BEWPOCDDFWFPCI-KGENOOAVSA-N 490.487 3.991 10 10 JHCE CC(=O)N1CCC(NC(=O)CSC2=NC(=O)/C(=C/c3csc4ccccc34)S2)CC1 1559419192 UERBSVPEAWTFMW-ZDLGFXPLSA-N 459.618 3.732 10 10 JHCE COc1ccc(-c2nc(NS(=O)(=O)c3ccc(OC)c(C)c3)sc2CCC(=O)O)cc1 1858035138 RTUUKRRYBYZOFV-UHFFFAOYSA-N 462.549 3.954 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)NCCC4=CCCCC4)c4ccccn34)CC2)cc1 1858224019 LIMDFGNQQTZEAU-UHFFFAOYSA-N 487.604 3.926 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(Cl)cc3F)cc2)cc1 1859008613 JLICJWVQMXMIGP-UHFFFAOYSA-N 491.928 3.511 10 10 JHCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864019330 IVQFQLLFVNYHGS-NPMXOYFQSA-N 488.588 3.845 10 10 JHCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(c3ccccn3)N=C2C)cc1OC 1865675738 XNVSSLIKCKKCGB-HMMYKYKNSA-N 450.539 3.924 10 10 JHCE CC[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866708672 VFYFLGOCWLSCCT-URXFXBBRSA-N 469.541 3.598 10 10 JHCE COc1cccc(-c2cc(C(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)no2)c1 1867134955 BODBQKMEZCDAHW-HNNXBMFYSA-N 495.491 3.883 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868838705 IUEODBUBBRGVAO-DEOSSOPVSA-N 451.611 3.987 10 10 JHCE CC[C@@H](NC(=O)C1(c2ccc(N)cc2)CCCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868929647 KQFHWECQRGWVAS-RUZDIDTESA-N 478.637 3.723 10 10 JHCE COc1ccc(CCN2C(=O)C(NCCN(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166019 YTSRSBQTXULHCK-UHFFFAOYSA-N 486.616 3.577 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(N(C)C)c3)n4C)CC2)cc1 1873650280 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COCCN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2296849509 DXNAAWKMBWLQRF-UHFFFAOYSA-N 473.963 3.988 10 10 JHCE N=C1C(=Cc2cccn2CCCOc2ccccc2Cl)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352809 YUEAECVNYBCIGB-UHFFFAOYSA-N 498.996 3.519 10 10 JHCE COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1OC 14479325 MOCWPKKMCMHUQS-JXQFQVJHSA-N 456.564 3.551 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3ccccc3F)c3ccc4c(c3)OCO4)CC2)cc1 20614492 BLLWIDFZMFQCAS-DEOSSOPVSA-N 477.536 3.856 10 10 JHCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@H]3c2cccc(O)c2O)cc1 21659003 YNVPIIYCLXFRSD-QFIPXVFZSA-N 480.524 3.929 10 10 JHCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc(C(=O)O)c(O)c2)C1=O 35643720 IBFFIKOTIRTAGU-MVZMPPLNSA-N 454.529 3.877 10 10 JHCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526625383 LMKTYXIBCVKUOU-DEOSSOPVSA-N 491.496 3.888 10 10 JHCE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 727372763 GLFXRTXNWFNEMJ-UHFFFAOYSA-N 466.651 3.820 10 10 JHCE CC[C@@](C)(NC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862265469 ODQLAVHMSITEAS-HHHXNRCGSA-N 460.578 3.733 10 10 JHCE CC[C@](C)(NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868585685 SGOZPKJPGICHSN-MHZLTWQESA-N 462.594 3.743 10 10 JHCE CCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868832053 SBOZXOBXUROVAG-HJOGWXRNSA-N 453.558 3.572 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](C)c3cccc(OC)c3)C(C)C)CC2)cc1 1868944253 WCGMRTOHIXBHCU-FNZWTVRRSA-N 467.610 3.687 10 10 JHCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(F)cc4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1 1869969409 BJCLFXXKNIMPHH-UHFFFAOYSA-N 486.551 3.724 10 10 JHCE CCCCCCOc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870672116 JAQWMNPXYIBJBL-UHFFFAOYSA-N 457.615 3.785 10 10 JHCE CCCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871675184 YMWBMGANOUFWBH-UHFFFAOYSA-N 488.640 3.794 10 10 JHCE CCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2040498437 JZFSIWNKXMEHDR-UHFFFAOYSA-N 491.642 3.551 10 10 JHCE O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cccn1-c1ccc(C(=O)O)cc1 2294216906 OJPAXUDQRUUIKJ-UHFFFAOYSA-N 451.891 3.660 10 10 JHCE COc1ccccc1N1C(=O)C(=Cc2ccc(-c3cccc(C(=O)O)c3C)o2)C(=O)NC1=S 2294265297 DQIDRYTUVQVPAV-UHFFFAOYSA-N 462.483 3.793 10 10 JHCE COc1ccc2c(CCNC(=O)CN3C(=O)C(=Cc4cccs4)SC3=S)c[nH]c2c1 2296885393 SDRSWPFCHXVHKX-UHFFFAOYSA-N 457.602 3.798 10 10 JHCE COCCN1C(=O)C(=Cc2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 2314506832 FZFHBYNEHNVSNZ-UHFFFAOYSA-N 471.535 3.782 10 10 JHCE C[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1)C(=O)O 2314929570 ONXLELVFKASUII-LLVKDONJSA-N 462.936 3.738 10 10 JHCE CCN(CC)c1ccc(CN2C[C@@H](NC3CCN(CCc4ccccc4)CC3)C[C@H]2C(=O)NC)cc1 20450003 GFEGIRXDLWEMAC-YTMVLYRLSA-N 491.724 3.518 10 10 JHCE CCN(CC)c1c(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c(=O)n1C 33454377 WTUSJBSUWITYOY-KGENOOAVSA-N 496.658 3.864 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 35300244 SKNSWGWVUNZLOK-WQRHYEAKSA-N 466.588 3.845 10 10 JHCE O=C1N=C(O)/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 59135009 GOYKQTWLIJOKGH-WZUFQYTHSA-N 450.176 3.709 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)C(=N)N21 96460403 CUQPVRGXZQMIQO-VKGGKSIRSA-N 468.560 3.585 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 96481845 MMCHCWGFGMYKDU-GIJQJNRQSA-N 487.515 3.649 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(NC3CCCC3)nc12 102861638 MJNZTQBZEPXGNV-YAJBTMAUSA-N 470.620 3.738 10 10 JHCE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705721505 FKGZKOSQLLXMAW-OAQYLSRUSA-N 489.668 3.965 10 10 JHCE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S 1858590433 QGVOQYRSZCVCKQ-DREKTBMASA-N 450.376 3.996 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862214412 AODUBPCRCALYSW-RLWLMLJZSA-N 479.621 3.926 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864006905 AGAGWWPISDIZDJ-OAQYLSRUSA-N 474.542 3.664 10 10 JHCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccc2)=C(N)O3)cc1 1864023447 ZDKQCVTYWMMPIF-JOCHJYFZSA-N 498.539 3.518 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865032844 MLIYCUSSFNKWAS-JOCHJYFZSA-N 474.561 3.943 10 10 JHCE C[C@H](CC(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 1867184919 OLFOZZUTWBFUBQ-QRQCRPRQSA-N 490.943 3.725 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3C[C@H](C)O)CC2)cc1 1870687703 FPKDXINYYYXLNQ-QHCPKHFHSA-N 491.632 3.572 10 10 JHCE COCCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168279 PIEMFAKSOVXGJE-UHFFFAOYSA-N 487.556 3.729 10 10 JHCE CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1 2162700520 CYKHMHAXOYGCGW-UHFFFAOYSA-N 475.586 3.928 10 10 JHCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(Br)cc1 2313561133 WCJBRWDJLKWMME-UHFFFAOYSA-N 450.086 3.878 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)C1=O 2314832510 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CCOC(=O)CCN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(Cc2ccccc2)n1 1867945108 ZZZNLIMJIOFQCA-UHFFFAOYSA-N 489.620 3.792 10 10 JHCE CCC[C@@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868779965 SCABMCBABODHEY-HSZRJFAPSA-N 491.636 3.789 10 10 JHCE CC(=O)NCCN1C(=O)C(NCCC2=CCCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167730 VJOGIFGLCUKABM-UHFFFAOYSA-N 474.605 3.790 10 10 JHCE N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)cc(I)c2O)N1 2059039252 UGXPAWOTZVMJLP-ZDUSSCGKSA-N 484.095 3.606 10 10 JHCE O=C1C(=Cc2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2296724123 WBJQZBXXFDKGRW-UHFFFAOYSA-N 462.600 3.739 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2313558034 REYRILFTDKRKKU-UHFFFAOYSA-N 460.417 3.769 10 10 JHCE CC1CCN(C(=O)Cn2cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)CC1 2313631417 LDPSNVSKWGSTLU-UHFFFAOYSA-N 484.556 3.562 10 10 JHCE CCOCCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C(N)=O)CC2)SC1=S 2314650660 UYFYDAWYRMAKQT-UHFFFAOYSA-N 484.647 3.564 10 10 JHCE C[C@H](NC(=O)[C@@H](C)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S)C(=O)O 2314837676 VQJMQVIQHHNBAD-UONOGXRCSA-N 456.545 3.658 10 10 JHCE O=C(O)CCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)SC1=S 3325275 VONPDJRXFURAOI-WEVVVXLNSA-N 467.160 3.593 10 10 JHCE CCCCCCN1C(=O)/C(=C/c2c(N3CCOCC3)nc3ccc(C)cn3c2=O)SC1=S 33470643 LNCOXTKUUQQJHK-JXAWBTAJSA-N 472.636 3.621 10 10 JHCE CC[C@H](C)[C@]1(C(=O)O)N[C@H](c2cc(Br)ccc2O)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 248154545 CTZAREFZTNZGDB-KKIMTKSISA-N 493.398 3.602 10 10 JHCE CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCCSc2nccs2)[C@@H](C)C1 1540996275 FGTAYKLVUFECDC-SFHVURJKSA-N 486.667 3.596 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C)n3)n2CCCSc2nccs2)C1 1741019341 WVXWPZISWSNVQD-GOSISDBHSA-N 471.656 3.592 10 10 JHCE CC[C@H](NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862101384 LJJLSUYBPRSYNM-NRFANRHFSA-N 463.582 3.552 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864021105 KJDWWKRJYNIFRJ-LJQANCHMSA-N 468.579 3.585 10 10 JHCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865033025 PYJFSBZNLBHXEF-QFIPXVFZSA-N 474.561 3.861 10 10 JHCE CC[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868633220 PSXOLPPFUGNRPA-DEOSSOPVSA-N 490.604 3.753 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871578463 FIMINYCXCTYBNE-UHFFFAOYSA-N 479.604 3.700 10 10 JHCE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421391 VJDSFIPSRXABHC-UHFFFAOYSA-N 485.588 3.806 10 10 JHCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N(CC)CC)ncnc21 1873547569 SUBWEGJENMGPEU-UHFFFAOYSA-N 450.587 3.659 10 10 JHCE CC(C)(C)OC(=O)NCC12CC(CNCc3cc(Cl)cc(Br)c3O)(CO1)C2 2159528545 KUWJZCPNSTVOHO-UHFFFAOYSA-N 461.784 3.972 10 10 JHCE COc1ccc(Br)c(CNCc2csc(CNC(=O)OC(C)(C)C)n2)c1O 2286747809 INNJUDNBJOCLOQ-UHFFFAOYSA-N 458.378 3.934 10 10 JHCE Cc1ccc(N2C(=O)C(=Cc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)c(C)c1 2313548269 QPEWUTRUCJCCDX-UHFFFAOYSA-N 475.530 3.845 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OC(C)C 2313548670 BRCMZJVXJYFJHB-UHFFFAOYSA-N 487.350 3.949 10 10 JHCE CC[C@H](Oc1ccc(C=C2SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1)C(=O)O 2314926186 CWMKUURESLIFDD-KRWDZBQOSA-N 457.529 3.962 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 15044506 YXGWRYYPLMIRGY-CYVLTUHYSA-N 489.644 3.734 10 10 JHCE N=C1/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 20356507 FCJUPJFERIGGRH-QOSYYJRFSA-N 459.531 3.968 10 10 JHCE O=C(N/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 108428065 GHECATGXKYZBEL-RVDMUPIBSA-N 479.836 3.690 10 10 JHCE O=C(CCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)N(CCO)Cc1ccccc1 210497477 FHKGDKRXZDITOQ-XMHGGMMESA-N 492.569 3.900 10 10 JHCE CCN(CC)c1ccc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4)NN32)cc1 588227151 PAQHTNJAMLQHOF-RUZDIDTESA-N 469.614 3.609 10 10 JHCE CC(C)(C)c1ccc(O)c(CN2CC(=O)NCCCCCOc3ccc(CC(=O)O)cc3C2)c1 643574630 FNSJDWRCKOASFP-UHFFFAOYSA-N 468.594 3.998 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc2)CC1 1138228972 QHLWMVPBXRHXFR-UHFFFAOYSA-N 451.310 3.500 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)cc2)CC1 1567591230 BIELTUJQEJAWML-UHFFFAOYSA-N 456.568 3.694 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccccc4)n4ccccc34)CC2)cc1 1858223750 DGBLQTMPMRGROW-UHFFFAOYSA-N 455.518 3.558 10 10 JHCE COc1cc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)ccc1OCc1ccccc1 1858592674 UGUPLEYEUZOZBM-PUMYGXPMSA-N 487.555 3.793 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(OCC(C)C)cc3)CC2)cc1 1862262986 AVRLKTXIPCTZRR-VWLOTQADSA-N 465.594 3.683 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864013757 ZVMZWIFUJLHOCG-ZHRRBRCNSA-N 476.577 3.904 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015197 LXNUPBZVTQRPNF-QGZVFWFLSA-N 488.466 3.582 10 10 JHCE CCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865034917 HQETYSBMOOHFNZ-OAQYLSRUSA-N 460.534 3.551 10 10 JHCE Cc1cc(Br)c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)c(C(=O)O)c1 1865884650 WADOWWLHOGYBSD-UHFFFAOYSA-N 494.301 3.899 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCCCCN1CCCC1 1873904998 IJWDOVVJDXXMFH-UHFFFAOYSA-N 469.589 3.567 10 10 JHCE COc1ccc([C@@H](C2CC2)n2nc(C(C)(C)C)c(C(N)=O)c2I)c(O)c1 2080054907 XFRSGMXLMYJIQC-OAHLLOKOSA-N 469.323 3.598 10 10 JHCE NC(=O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 2314541773 PXRPTPRQXLNICN-NSHDSACASA-N 471.343 3.783 10 10 JHCE O=C(O)CCNC(=O)CCCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314831335 IRCINLXIXSHIJR-UHFFFAOYSA-N 484.599 3.838 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)cc3)SC2=S)cc1OC 2314929323 LAYPNVOMTBYZOZ-CQSZACIVSA-N 473.572 4.000 10 10 JHCE Cc1ccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c(O)c1Br 2380759913 SHACCNJHXMPRRC-LLVKDONJSA-N 455.271 3.925 10 10 JHCE O=C(O)CCNC(=O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15040362 LDIJQUYAXBHIGN-CYVLTUHYSA-N 454.573 3.926 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O 33511127 MYCZWNRJVWIRMC-LGMDPLHJSA-N 460.625 3.843 10 10 JHCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC[C@@H]1CCCN2CCCC[C@H]12 1615156474 YWTKMCGHBNRFJE-NBGIEHNGSA-N 495.627 3.955 10 10 JHCE CC[C@](C)(NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861999265 CVEKGNLSJJSQJS-GIGWZHCTSA-N 492.664 3.541 10 10 JHCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012623 FMJYUMMAHDULNN-OAQYLSRUSA-N 494.979 3.922 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864013833 HBDMAFZZSQDVMH-YCRPNKLZSA-N 462.550 3.839 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)CCc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1868914283 WQELGZXWATZWBG-SFHVURJKSA-N 496.608 3.744 10 10 JHCE CCNC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870971825 XHOMIWVQVWFELB-DEOSSOPVSA-N 476.577 3.898 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cccc(Cl)c4)[nH]3)CC2)cc1 1871648238 DLIITVAXKKEVBS-UHFFFAOYSA-N 482.032 3.906 10 10 JHCE CCCn1c(C(=O)NCC(C)C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873573161 SDSYZWMJGJGWGD-UHFFFAOYSA-N 450.587 3.562 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CC(C)C)CC2)cc1 1874642871 PAXYDHLAVJUUIH-RUZDIDTESA-N 462.594 3.599 10 10 JHCE O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1c1cc(O)c(O)c(O)c1 1906073771 FJDCYVYTIIADKL-WOJBJXKFSA-N 461.470 3.853 10 10 JHCE COc1cc([C@@H](OC)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1952535068 MBZXEONNYSVOPC-LADGPHEKSA-N 479.485 3.786 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)NC2=S)cc1 2294253448 VJNQTNVBIUSCKH-UHFFFAOYSA-N 475.526 3.663 10 10 JHCE Cc1ccccc1COc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 2297345188 AOPYPDYBQOITQY-UHFFFAOYSA-N 488.978 3.849 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3cc(C)c(C)cc3Br)C2=O)c(C)c1 2297506233 HINOQQXIGAHAQC-UHFFFAOYSA-N 485.338 3.971 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3cccs3)SC2=S)cc1 2314831994 XIAYAOHPCVHAIZ-UHFFFAOYSA-N 495.673 3.796 10 10 JHCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCSCC3)nc12 33557326 UXXUZDOIZPLTIZ-XMHGGMMESA-N 494.667 3.958 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(C(=O)N2CCCCC2)cc1 101346710 IGSSZDDTHIDVLV-XMHGGMMESA-N 452.898 3.545 10 10 JHCE CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254817088 PPOVSVDUVDDZOP-AREMUKBSSA-N 494.620 3.940 10 10 JHCE CCOc1ccc(S(=O)(=O)N(CCN(C)C)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 586254874 WMUNXICPXXAQKL-UHFFFAOYSA-N 478.570 3.618 10 10 JHCE Cc1cc(CCNC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)n1-c1ccccc1 746427762 XYBVZKHAWKWUHT-UHFFFAOYSA-N 452.536 3.552 10 10 JHCE CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)c2)CC1 1269318294 KHLBVBNPSWMEDV-UHFFFAOYSA-N 459.428 3.676 10 10 JHCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)NS(=O)(=O)c1ccc(Br)cc1 1858606045 BTJYDRFRHPHXFQ-UHFFFAOYSA-N 485.315 3.735 10 10 JHCE CC[C@H](NC(=O)COc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 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CCOCCCN1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccccn3c2=O)SC1=S 33458365 CVAWGVFXTULSML-SDXDJHTJSA-N 472.636 3.559 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCNC(=O)COc3cccc(C)c3C)C2=O)c1 62050519 KHUYWHBBJHUQBI-DEDYPNTBSA-N 456.589 3.708 10 10 JHCE O=C1c2ccccc2C(=O)c2c1cccc2N(CCF)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586231358 GDAQLGKQMZEQIZ-UHFFFAOYSA-N 454.435 3.535 10 10 JHCE CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br 1084190349 XZCOMHJCCLGCIP-XGICHPGQSA-N 493.697 3.896 10 10 JHCE CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)c(N3CCCC3)o2)C1=O 1084453036 WYJATSPEYIBCAQ-PTNGSMBKSA-N 458.312 3.871 10 10 JHCE CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)(C)C)n2CCCSc2nccs2)C1 1508200695 XOEIRTFTPGDZPB-KRWDZBQOSA-N 450.678 3.810 10 10 JHCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 1772719557 QZPUUYSVUCYATC-BDLQZBCKSA-N 484.647 3.760 10 10 JHCE CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)SC1=S 1858595365 AYHRIKWQMABVEH-HNXWREMNSA-N 460.371 3.864 10 10 JHCE 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CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccncc1)[C@@H]2c1ccc(O)c(O)c1 1864016252 KLGOYDOXPBDDQT-JOCHJYFZSA-N 497.555 3.777 10 10 JHCE COc1ccc([C@H](n2nc(C(C)(C)C)c(C(N)=O)c2I)C2(C)CC2)c(O)c1 2080052456 ALMVCRPVEPUFGH-INIZCTEOSA-N 483.350 3.988 10 10 JHCE O=C1[C@@H]2[C@@H](C=Cc3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 2313621439 LWGSRAMWSPNCKD-ZLNRFVROSA-N 494.459 3.631 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2314400735 QZPUUYSVUCYATC-HOTGVXAUSA-N 484.647 3.760 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 2314488890 POVPLENGCNILIV-UHFFFAOYSA-N 486.575 3.963 10 10 JHCE COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1I 15010438 KLIXGABTZFGXBY-JYRVWZFOSA-N 498.729 3.785 10 10 JHCE O=C(CN1C(=O)CSC=C1c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 71528307 ZSTNNKJGFVVSQS-UHFFFAOYSA-N 454.507 3.975 10 10 JHCE CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)C1 1749823457 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455.399 3.814 10 10 JHCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(C)CC2)SC1=S 33812592 ZYFXVXHXSSNFQK-HKWRFOASSA-N 487.695 3.582 10 10 JHCE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)cc1 210607782 BHQAYDMZEQDAFS-VSIFMREISA-N 455.513 3.600 10 10 JHCE O=C(O)CCNC(=O)CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S 210725664 LDIJQUYAXBHIGN-XDJHFCHBSA-N 454.573 3.926 10 10 JHCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)cc2OC)[C@@H]1c1ccc(O)c(O)c1 526480958 PMTZNGCBOMPBCN-QHCPKHFHSA-N 477.469 3.959 10 10 JHCE O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC1CCN(c3ccccc3)CC1)c2[N+](=O)[O-] 730969344 JDJSNFBXEUICPA-UHFFFAOYSA-N 455.470 3.769 10 10 JHCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864008339 IKEFMOHSJODTHU-QKFKETGDSA-N 474.561 3.591 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015560 CECKFWFTDRLZLG-JOCHJYFZSA-N 482.540 3.840 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865029496 OSTGWTRUTXGEAK-NRFANRHFSA-N 454.571 3.744 10 10 JHCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865031549 JIFPZVPRBCAAPQ-IERDGZPVSA-N 474.561 3.934 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5cccnc5)C4)nc(C(C)C)n3)CC2)cc1 1869095558 UKPIAVZQIVKRFJ-XMMPIXPASA-N 474.609 3.908 10 10 JHCE CCCCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870579044 LYVQBWHRKKOODN-UHFFFAOYSA-N 499.652 3.947 10 10 JHCE CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)[C@@H]1CC[C@@H]1OCc1ccccc1 2200971636 OXQBWOCJYBYIDL-MZKRTTBSSA-N 470.566 3.740 10 10 JHCE COc1cccc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1OC 2296715380 WSEQHHYBFHIPAU-UHFFFAOYSA-N 467.572 3.907 10 10 JHCE CCN(CC)C(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c2ccccc21 2297309998 MSVYXJJSIWBUND-UHFFFAOYSA-N 472.545 3.793 10 10 JHCE COc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1 2314832392 GJSBCZDLXIIWDW-MRXNPFEDSA-N 458.948 3.882 10 10 JHCE CC[C@H](Oc1cccc(C=C2SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)c1)C(=O)O 2314926830 TXUPYWAABFFTBW-MSOLQXFVSA-N 471.556 3.826 10 10 JHCE O=C1/C(=C\c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2321384 KAHBRZBARCOUOW-GZTJUZNOSA-N 464.528 3.894 10 10 JHCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 39835912 HPVRFUOSUTYECO-SFQUDFHCSA-N 481.555 3.780 10 10 JHCE CCCN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 39983388 GMYDMYWPZJBITD-VVLLMFOMSA-N 467.410 3.956 10 10 JHCE O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 726566048 XKFRIEMYZWAYAI-UHFFFAOYSA-N 487.528 3.735 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OCC(=O)N(C)C 915838309 HMZCWYYCNHVAEH-NTEUORMPSA-N 473.414 3.536 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](C)N(C)C)C1 1595967554 AVSOAVDFWGEGKV-NFBKMPQASA-N 477.657 3.607 10 10 JHCE COc1ccc(NC(=O)[C@@H](C)Oc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1OC 1858684188 GXFCYLVWNHDGRO-CQSZACIVSA-N 452.467 3.698 10 10 JHCE CCCOc1ccc(CC(=O)N[C@H](CCC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861900359 OWZIKZWAHKMFIO-RUZDIDTESA-N 481.637 3.969 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2c[nH]c3c(F)cc(Br)cc3c2=O)c2nccn2C)cc1 1866442137 FWXAARYJKZAIQO-LJQANCHMSA-N 498.356 3.749 10 10 JHCE CC[C@@H](NCCn1cnc(I)c1)c1cc(Br)ccc1O 2237121989 ATBGDVRKAPYSHQ-GFCCVEGCSA-N 450.118 3.697 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)ccc1O 2296885489 XCPZRGOQDZVNTD-UHFFFAOYSA-N 482.539 3.737 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)c(C)c1 2313548054 KDJSWBJQNVOMDR-UHFFFAOYSA-N 474.477 3.593 10 10 JHCE O=C1/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 1121263 KTGFNUFZXQWMOL-UEXNTNOUSA-N 496.589 3.826 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)c3cc4c(=O)oc5ccccc5c4s3)CC2)cc1 9776753 JGQNHZPAHZCLOO-UHFFFAOYSA-N 477.586 3.958 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)sc2c1CCCC2 21353012 YBEYTPOESOBISZ-MRXNPFEDSA-N 458.555 3.972 10 10 JHCE COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)C2=O)cc1 101974196 HKGSQBTYBDTENO-IUPCOXQMSA-N 458.948 3.882 10 10 JHCE COc1ccc(N2CCN(C(=O)CSCc3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 105817822 ITAUOPWVTTWRSX-UHFFFAOYSA-N 456.543 3.775 10 10 JHCE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3cccs3)[C@@H]2c2ccc(O)c(O)c2)c1 526602085 JHHWQEOXMLVBHR-FQEVSTJZSA-N 481.482 3.790 10 10 JHCE Cc1cc(CCNC(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccccc1 727599140 GGZDBJWWLFGTSA-LJQANCHMSA-N 468.623 3.947 10 10 JHCE CC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=S)N(CCN4CCOCC4)C3=O)c2C)c1 814274451 NDHPVADOLHDSTH-PXLXIMEGSA-N 469.632 3.830 10 10 JHCE C[C@H]1CN(c2ccc(CNC(=O)C(=O)Nc3ccc(N4CCCCC4)cc3)cc2F)C[C@H](C)O1 918286348 HCXXXVFYWVUSEN-OALUTQOASA-N 468.573 3.685 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1 1084347194 FIHPITLHZYLTKP-WQRHYEAKSA-N 476.485 3.965 10 10 JHCE COc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1861936327 FQMMXWSDRZNOTG-VAACGYSUSA-N 499.611 3.793 10 10 JHCE COC(=O)c1c(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(C)=O)sc(C)c1-c1ccccc1 1866112519 ZHNSEQXNDHWNFY-LJQANCHMSA-N 452.532 3.902 10 10 JHCE CCCCCCOC(=O)COc1cn(CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870417748 GQXMNTYTKLDZPG-UHFFFAOYSA-N 485.625 3.701 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873168097 IYKGQTCTHQLLPD-UHFFFAOYSA-N 469.545 3.844 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(N[C@@H]3CCCC[C@@H]3C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873169544 CPUHEFACNYKIRG-NBGIEHNGSA-N 490.648 3.675 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3cccc(F)c3)n4C)CC2)cc1 1873650762 UWCPQXUPUPQGHO-UHFFFAOYSA-N 460.513 3.695 10 10 JHCE COC(=O)c1c(C(F)(F)F)nn([C@@H](C)c2ccc(C)cc2O)c1I 2079036355 UPZLQMAMJPJRID-QMMMGPOBSA-N 454.186 3.916 10 10 JHCE COc1ccc([C@@H](C2CCC2)n2nc(C3CC3)c(C(N)=O)c2I)c(O)c1 2080001271 GHSZFDAUPBQESN-QGZVFWFLSA-N 467.307 3.568 10 10 JHCE O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)cc1)C1(O[C@@H]2C=Cc2ccccc2)C(=O)c2ccccc2C1=O 2293880497 YRZXQCGDZQBCQW-DNVJHFABSA-N 467.452 3.862 10 10 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RXDFSTARODFPFW-HXUWFJFHSA-N 468.985 3.910 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1 1868972205 WHUSJRCOOMKPGL-FQEVSTJZSA-N 490.695 3.784 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12 2053511152 HAVBHLXZWUQMDE-GOSISDBHSA-N 492.626 3.995 10 10 JHCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C(C)C)C3=O)c3ccccc32)cc1 2296538225 GQOILNMLGYZMAM-UHFFFAOYSA-N 451.573 3.960 10 10 JHCE CCOC(=O)N1CCN(C(=O)CCCN2C(=O)C(=Cc3ccc(CC)cc3)SC2=S)CC1 2296753571 FRPGSJNEPHVJDG-UHFFFAOYSA-N 475.636 3.531 10 10 JHCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2302401442 JRLHFCMUANKQPY-INIZCTEOSA-N 458.514 3.910 10 10 JHCE C[C@@H](C(=O)NCCCC(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314837739 WEGIIOZPTSCFNP-INIZCTEOSA-N 484.599 3.836 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)n3c(=O)c(C(F)(F)F)nc4cc(C)c(C)cc43)CC2)cc1 32945055 SVBCPDWEZJTXLR-KRWDZBQOSA-N 488.510 3.951 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3cccc(Cl)c3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 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CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866615423 ZQOCAWMVVSYHLV-QFIPXVFZSA-N 495.535 3.736 10 10 JHCE CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870730654 ARFYJEVTYUBESJ-UHFFFAOYSA-N 490.604 3.525 10 10 JHCE O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874179432 DOONNUJQUVAWIA-UHFFFAOYSA-N 469.884 3.978 10 10 JHCE CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(N)c3c2CCN(C(=O)OC(C)(C)C)C3)CCCO1 2163120224 LWDCVYZWEKHGHD-KRWDZBQOSA-N 476.618 3.682 10 10 JHCE N=C1C(=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2296943149 ADUORGRYVJCJPM-UHFFFAOYSA-N 491.529 3.667 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N21 2297345684 RVFLDMKEMMFQEI-UHFFFAOYSA-N 488.978 3.930 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S 2297457087 YBQRTQVJOWMBPK-UHFFFAOYSA-N 460.650 3.639 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3cccc(OCC(=O)O)c3)SC2=S)cc1OC 2314932754 YHFOUJPUXKQNEC-UHFFFAOYSA-N 459.545 3.611 10 10 JHCE 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3.794 10 10 JHCE Cc1c(N2C(=O)/C(=C\c3ccccc3OCCC(=O)O)SC2=S)c(=O)n(-c2ccccc2)n1C 16911711 ZVJPSXNKBJWFHJ-XMHGGMMESA-N 495.582 3.744 10 10 JHCE CN(C)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)cc1 20995191 ALGVOBGYHVLWNR-DEOSSOPVSA-N 488.613 3.507 10 10 JHCE Cc1cccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccc(N5CCOCC5)cc4)nc32)c1 65294153 PEGKLFPEAXHSBE-UHFFFAOYSA-N 490.633 3.688 10 10 JHCE CCOc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc(I)c1O 96624533 URSSYTGVWGUGBU-GYBQTFJISA-N 491.372 3.776 10 10 JHCE CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C 207097765 RNJBRCDOAVZKJF-ODLFYWEKSA-N 486.571 3.697 10 10 JHCE CCC[C@@H]1OC(=O)N[C@@H]1c1cc(I)cc(I)c1O 575259240 HDYYWUFDFNBRJQ-VHSXEESVSA-N 473.048 3.551 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCSCCCO)[C@H](C)C1 1741042879 TVYCMLJIXRDIAC-HXUWFJFHSA-N 496.681 3.525 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NCc2cccnc2)sc(C)c1-c1ccc(OCC)cc1 1860762715 OZOVFLNNVROMLD-UHFFFAOYSA-N 467.547 3.949 10 10 JHCE 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N=C1C(=Cc2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N=C2SC(N3CCOCC3)=NN12 2297352749 SFBRGCZFYGMLIG-UHFFFAOYSA-N 499.955 3.967 10 10 JHCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(CCc4ccccc4)C3=O)o2)cc1 2313549539 YXGBAPVSKIBNHB-UHFFFAOYSA-N 465.487 3.530 10 10 JHCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C(C)C)C3=O)c3ccccc32)c1 1253198 LKTFYKVBTROXKJ-FMQUCBEESA-N 451.573 3.960 10 10 JHCE COc1cc([C@H]2Nc3c(C(=O)N4CCN(C)CC4)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 13641261 OUKRZUALJHUNSX-AXHZCLLHSA-N 463.578 3.927 10 10 JHCE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C)C2=O)cc(OC)c1O 15037307 DKCVLCJJBYPTGA-PDGQHHTCSA-N 458.561 3.948 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(C)cc1)C(=O)c1cccs1 35960314 YEIQHLYHMMAIQP-JOCHJYFZSA-N 464.591 3.862 10 10 JHCE COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cc(-c4onc(C)c4C)ccc3C)CC2)cc1 64867287 WOTJJBFJANMBEV-UHFFFAOYSA-N 497.617 3.788 10 10 JHCE O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/C=C\c3ccccc3[N+](=O)[O-])SC2=S)c1 210233903 SHQUKXUEOGVUTK-YLTANLAUSA-N 456.457 3.953 10 10 JHCE CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)cn1C 727248599 JGRYEIOUHZVJEF-UHFFFAOYSA-N 464.572 3.880 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3c(Cl)cccc3Br)cc2)CC1 1447716501 XMNYQTCHZJLTDG-UHFFFAOYSA-N 450.764 3.701 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N(C)c4ccccc4)c4ccccn34)CC2)cc1 1858224755 DEBWSCSEZNFSQR-UHFFFAOYSA-N 469.545 3.582 10 10 JHCE CCOc1ccc(NC(=O)c2nc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccn23)cc1 1858230860 GNHORISLRBDETP-UHFFFAOYSA-N 499.571 3.956 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCCn3ccnc3)C2=O)cc(Br)c1O 1858591109 YCRJOGYBELFUAH-NTEUORMPSA-N 454.371 3.651 10 10 JHCE CCCOc1ccc(CC(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861901307 MQVDATZTQBHHLO-RUZDIDTESA-N 479.621 3.675 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3OCC(C)C)CC2)cc1 1862055016 FSFCFXLHTWISSL-QHCPKHFHSA-N 483.634 3.594 10 10 JHCE CC[C@H](NC(=O)COc1ccc(C)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862173076 XKLHMAZYJAJRRG-DEOSSOPVSA-N 481.637 3.924 10 10 JHCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864013100 QCFSRUGSOLJTAL-NRFANRHFSA-N 494.979 3.922 10 10 JHCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC1)[C@H]2c1ccc(O)c(O)c1 1865031444 HABANBBXUQQTLZ-NRFANRHFSA-N 474.561 3.934 10 10 JHCE CC(=O)Nc1ccc2[nH]c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(=O)c2c1 1866519416 DHWFQCSQFKBVHI-UHFFFAOYSA-N 451.438 3.514 10 10 JHCE O=C(O)CCC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 1951507267 MWFPDKCDAXEZOU-JOCHJYFZSA-N 475.497 3.982 10 10 JHCE C[C@@H](CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)N(C)Cc1ccccc1 2200959276 STVBVGJWSBVVBX-RXVVDRJESA-N 471.598 3.560 10 10 JHCE CCOc1cc(C=C2C(=N)N3N=C(CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 2293110770 PHOCGORFPWVEBF-UHFFFAOYSA-N 484.559 3.882 10 10 JHCE COC(=O)c1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)cc1 2296880234 XNUYCQSEJJPXCW-UHFFFAOYSA-N 477.361 3.782 10 10 JHCE CCCOc1c(I)cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1OCC 2297672381 FHYZSIFHXJINBM-UHFFFAOYSA-N 492.313 3.940 10 10 JHCE CN(C)c1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)/C=C2\SC(=O)NC2=O)cc1 72413163 WPGTWGAUNZWVCA-IZILLXMLSA-N 454.939 3.951 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc4nonc34)C2=O)cc1 103040614 AJQUBQVXTNMDNV-SFQUDFHCSA-N 454.533 3.852 10 10 JHCE CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)N1CCCc2ccccc21 208737095 LPFGYKQAISKTTN-MOSHPQCFSA-N 454.573 3.932 10 10 JHCE CC(=O)N[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 770287173 UTHUENWDOCAWQJ-VOIUYBSRSA-N 484.508 3.600 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(Cc4ccc(OC)c(OC)c4)n4ccccc34)CC2)cc1 1858339818 DLBQDXPSYJIYSB-UHFFFAOYSA-N 486.572 3.913 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3ccc(F)cc3)c3ccccc3)CC2)cc1 1862122846 DBGDXWMZIFATNN-AREMUKBSSA-N 461.537 3.583 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864010276 RDQRCTIUYMDNES-IVZQSRNASA-N 462.550 3.831 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864017716 SJJFWYSVPUURLJ-VLIAUNLRSA-N 478.549 3.599 10 10 JHCE CCc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864018713 AYIYXVSOUOUKRT-OAQYLSRUSA-N 492.576 3.582 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(Cc3ccccn3)C2=O)cc1 1873165410 NIWUOYLEPNDLOY-UHFFFAOYSA-N 458.562 3.784 10 10 JHCE O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1c1ccc(O)c(O)c1O 1951665651 SNUAVKMCGUIQPI-UXHICEINSA-N 461.470 3.853 10 10 JHCE CCCN1C(=O)C(=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21 2296711247 GMYDMYWPZJBITD-GFCCVEGCSA-N 467.410 3.956 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 2297346718 ZEUOPEVPMZWJPU-UHFFFAOYSA-N 466.837 3.714 10 10 JHCE CCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1OC 2313549481 XMPPDRAVAVUWOD-UHFFFAOYSA-N 487.350 3.951 10 10 JHCE Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)cc1C 1416413 KCOCLHFKJWSLDM-STZFKDTASA-N 468.600 3.947 10 10 JHCE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 15038597 QBWXMZKZVPFLLL-CYVLTUHYSA-N 454.573 3.926 10 10 JHCE COc1ccc(N2C(=O)/C(=C\c3ccc(OCCC(=O)O)c(OC)c3)SC2=S)c(OC)c1 16911972 IJJPIOGBDJRAEL-YBFXNURJSA-N 475.544 3.972 10 10 JHCE CCOC(=O)c1ccc(NC2=NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OCC)c3)S2)cc1 16916222 RAULNCAKQAPSOI-XDHOZWIPSA-N 470.503 3.808 10 10 JHCE CCC(=O)Nc1nc2ccc(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2s1 32959466 MSSGYXQYVUVMCG-UHFFFAOYSA-N 452.580 3.935 10 10 JHCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 35518327 POVPLENGCNILIV-XMHGGMMESA-N 486.575 3.963 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)Cc3cccc(C)c3)c3ccco3)CC2)cc1 38598284 ZDJIGELQFNXZLD-XMMPIXPASA-N 469.607 3.580 10 10 JHCE COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3Cl)c3ccco3)CC2)cc1 38619225 JLUKKMVMDLXZBV-OAQYLSRUSA-N 475.998 3.783 10 10 JHCE CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1 62694836 OCCCLIZRFLBJJI-UHFFFAOYSA-N 497.592 3.625 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3cc4ccccc4o3)[nH]c3c2c(=O)n(C)c(=O)n3C)c1O 86076806 PAGBVPHYFAWNQH-UHFFFAOYSA-N 479.514 3.898 10 10 JHCE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 102435700 YJSDSYFAUUAGHT-RGHBXIHOSA-N 460.650 3.556 10 10 JHCE CC(=O)N(c1ccc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1)[C@@H]1C[C@H]1C 1662057712 AXMUIBDZVQYPME-IVZQSRNASA-N 458.509 3.884 10 10 JHCE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1705732252 SXPOTOUALLJLMF-UHFFFAOYSA-N 455.534 3.914 10 10 JHCE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4cccs4)c(CCC(=O)O)s3)ccc21 1858070047 CMQTZKJWRYXXME-UHFFFAOYSA-N 491.616 3.989 10 10 JHCE COc1ccc(Cl)cc1S(=O)(=O)NC(=S)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858609367 MESHLLKVUYYCEI-UHFFFAOYSA-N 486.958 3.799 10 10 JHCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011325 GTEIUMNCIBPKEI-HXUWFJFHSA-N 468.941 3.524 10 10 JHCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013326 VZZPVTXFCHWODI-NRFANRHFSA-N 462.550 3.514 10 10 JHCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864017008 CFYCZXFDLFJWCE-JOCHJYFZSA-N 490.560 3.608 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c2nccn2C)cc1 1865886464 ATVYWWPDZHTMQN-XMMPIXPASA-N 479.540 3.806 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(Br)c(C)c4)c(=O)cc3O)CC2)cc1 1870130270 KTLYIMVGQAWWED-UHFFFAOYSA-N 498.377 3.585 10 10 JHCE COCCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168964 RUUZJRQNVOPSLT-UHFFFAOYSA-N 483.572 3.877 10 10 JHCE O=C(O)[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1c1cc(O)c(O)c(O)c1 1951590565 FJDCYVYTIIADKL-UXHICEINSA-N 461.470 3.853 10 10 JHCE COc1cc(Br)c(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 2297322237 ZZFNVWWZIQMECZ-UHFFFAOYSA-N 481.755 3.951 10 10 JHCE C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S 2297500976 YVESAZYLYKTSQP-SNVBAGLBSA-N 462.936 3.972 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2313557599 HDMJSLKCDYSOOZ-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c1C 2313560585 YPZIUNPCYXGCLV-UHFFFAOYSA-N 457.486 3.889 10 10 JHCE CCOC(=O)c1ccc(NC(C)=C2C(=O)N(c3ccc(OC)cc3)N=C2CC(=O)OC)cc1 2313682761 KCCWJQFFFCXZTD-UHFFFAOYSA-N 451.479 3.524 10 10 JHCE O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3[C@H]3C=CC[C@H]32)cc1 14551053 PNBCQCZXVBXRPU-GXJJEBCYSA-N 455.536 3.879 10 10 JHCE CCOc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(OC)c(O)c(OC)c3)SC2=S)cc1 15036130 HYVHVIKTGVOKAG-WQRHYEAKSA-N 474.560 3.648 10 10 JHCE Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)cc1C 33656741 URUZMGUDFLTHJC-ZDLGFXPLSA-N 456.545 3.607 10 10 JHCE COCCCN1C(=O)/C(=C\c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S 34860030 HVPAOYDXUFMMJS-GHRIWEEISA-N 471.535 3.864 10 10 JHCE O=C(/C=C\c1ccc2c(c1)OCO2)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 35212668 QMVUKGRKSSZSAA-POHAHGRESA-N 456.479 3.717 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3c(C)cc(C)cc3C)c3ccco3)CC2)cc1 38619693 DYYFCDBDANSOOR-XMMPIXPASA-N 490.604 3.832 10 10 JHCE COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1 59858407 SPTAVUDPRYHEQQ-BKUYFWCQSA-N 459.506 3.693 10 10 JHCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(F)cc1 1083923979 LQEJOEGQUYEUEI-GRSHGNNSSA-N 490.443 3.808 10 10 JHCE Cc1nc2c(Br)cc(Br)cc2c(=O)n1NC[C@@H](O)CN=Nc1ccccc1 1088723235 DKXJASJZIZXTHA-AWEZNQCLSA-N 495.175 3.918 10 10 JHCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864009466 HXZBVKVIIASVIW-NRFANRHFSA-N 482.968 3.923 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865027636 OTMOCBXABGIPDG-OYHNWAKOSA-N 460.534 3.688 10 10 JHCE COc1ccc(CCOc2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872716323 UVRWGVHSFXDGIV-UHFFFAOYSA-N 482.602 3.836 10 10 JHCE COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)C1=CNc1cc(OC)c(OC)c(OC)c1 2040736845 IZFSCOJFGFSWGV-UHFFFAOYSA-N 452.507 3.540 10 10 JHCE C[C@@H](CNCc1cc(Cl)cc(Br)c1O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238407701 HVPJSIFOTCSYLF-BUXKBTBVSA-N 463.800 3.906 10 10 JHCE CCOc1cccc(N2C(=O)C(=Cc3cc(Br)c(O)c(OCC)c3)C(=O)NC2=S)c1 2294229014 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Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865026214 KDKVGKADBKZFQE-CMJOXMDJSA-N 492.551 3.743 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCC[C@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028753 ZRLYYXFGIVZYKU-WAIKUNEKSA-N 474.561 3.996 10 10 JHCE Nc1ccc(Oc2ccc(NC(=O)CCCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 1866023855 JZDFRZCHBIBPRC-UHFFFAOYSA-N 460.446 3.984 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3nc(CC(C)C)n4ccccc34)C(C)C)CC2)cc1 1868777506 NBYARDMHPWSBJG-RUZDIDTESA-N 491.636 3.645 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccncc3)C2=O)cc1 1873167597 OUFFGXSEQJNPEF-UHFFFAOYSA-N 471.605 3.701 10 10 JHCE Cc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c(C)n1-c1ccc(F)cc1 2297345788 BYARUHOPCCTZKK-UHFFFAOYSA-N 473.555 3.633 10 10 JHCE COc1cc(C=C2SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 2314832058 YUJQSAVPAPUTIL-UHFFFAOYSA-N 472.544 3.719 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1 2314932330 MHLFFNHWRYQXNS-UHFFFAOYSA-N 459.545 3.611 10 10 JHCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)Nc3ccccn3)c3ccccc23)SC1=S 2326954697 ZUZZCNGVXUTWQJ-UHFFFAOYSA-N 480.571 3.741 10 10 JHCE Ic1ccc(N=NN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 2330186080 GLDXIFLFPNFTPS-UHFFFAOYSA-N 450.280 3.836 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccco4)n(C(C)(C)C)n3)CC2)cc1 2331396510 INKFVUALPZBYKF-UHFFFAOYSA-N 450.543 3.613 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(O[C@H](C)c4ccccc4)c(OC)c3)C(=O)N=C2S1 20208178 RBFJDIFSSQSBNG-SKCBRKFKSA-N 498.586 3.847 10 10 JHCE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c(C)n1-c1ccccc1F 30995441 DJEUKOBXTNBTEE-UHFFFAOYSA-N 477.508 3.658 10 10 JHCE COc1ccc(N2CCN([C@@H](CNC(=O)c3cccnc3SC)c3ccco3)CC2)cc1 38598133 KUPVCMFUYDSJKG-NRFANRHFSA-N 452.580 3.698 10 10 JHCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 100147459 XPZZHHCKKLXTKZ-GZTJUZNOSA-N 486.893 3.962 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864022521 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CC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)c1 62694833 ONAWRNQLLKAEKS-UHFFFAOYSA-N 497.592 3.625 10 10 JHCE Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(CCc3ccc(F)cc3)C(=O)[C@H]12 104760235 YHJOOICGVLHRBO-HJOGWXRNSA-N 483.495 3.867 10 10 JHCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cccs1 252673024 QRIUOHPKSMZLNA-QFIPXVFZSA-N 481.643 3.706 10 10 JHCE CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 1083933263 PMOMJKPPKLTTON-ZSOIEALJSA-N 463.259 3.662 10 10 JHCE CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccc(N4CCSCC4)cc3)no2)c1 1441629720 ILDXYUHEKREFPF-UHFFFAOYSA-N 451.548 3.939 10 10 JHCE CC[C@@](C)(NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866896787 JCPOWXOWDSVVQM-GDLZYMKVSA-N 494.551 3.966 10 10 JHCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccncc3)C2)n1 1869222163 BJYLENNNNZYMKA-XMMPIXPASA-N 474.609 3.737 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)c(F)c4)n(C(C)(C)C)n3)CC2)cc1 1869970255 GXNGMRMTAUHPLD-UHFFFAOYSA-N 470.524 3.899 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S 2040498557 MNNJDROVWUSOME-UHFFFAOYSA-N 474.677 3.948 10 10 JHCE CCc1nn([C@@H](c2ccc(OC)cc2O)C2CC2)c(I)c1C(=O)OC 2079980867 KIVIOIGKJAAIEG-MRXNPFEDSA-N 456.280 3.550 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(NC[C@H]3CCCO3)nc3ccc(C)cn3c2=O)SC1=S 2314414607 FYZNBFHACJRWGP-MRXNPFEDSA-N 472.636 3.985 10 10 JHCE CCC(=CC(=O)N[C@H](CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329523332 JVPUBPGAWMJVKN-RUZDIDTESA-N 465.594 3.741 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)n3nc(C)c4sc5ccccc5c4c3=O)CC2)cc1 8587718 ULJTYBXXFKJRIK-KRWDZBQOSA-N 462.575 3.838 10 10 JHCE COc1cc(C)c(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)cs1 11857723 NISZUHXSHCXJHT-CYBMUJFWSA-N 459.549 3.956 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccccc1C(=O)O 16922532 BVUIBJUKSZYVTL-DHDCSXOGSA-N 464.471 3.826 10 10 JHCE COc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(N2CCOCC2)cc1OC 20496450 MUFXLKMOUFZIPV-UHFFFAOYSA-N 470.526 3.691 10 10 JHCE O=C1C[C@@H](c2ccc(Br)cc2)N=C(NC(=O)c2ccc(Br)cc2)N1 20530797 RBCJHGWNNPOZSM-AWEZNQCLSA-N 451.118 3.559 10 10 JHCE O=C1/C(=C2\SC(=S)N(c3ccccc3Cl)C2=O)c2ccccc2N1CN1CCOCC1 33397581 NZIPUSBBJSYHQO-HNENSFHCSA-N 471.991 3.752 10 10 JHCE CCOCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC1=S 33780915 YJNWVQUPOKRFTG-JZJYNLBNSA-N 494.642 3.977 10 10 JHCE CCN1C(=O)/C(=C\c2c(NCc3ccc(OC)cc3)nc3c(C)cccn3c2=O)SC1=S 34715096 ZCUORIZBDFMEHI-LDADJPATSA-N 466.588 3.845 10 10 JHCE COCCn1c(C)c(C)c2cc(C(=O)OCC(=O)NCCc3cccc4cccnc34)ccc21 728637256 BSNRZZORGFBHBZ-UHFFFAOYSA-N 459.546 3.968 10 10 JHCE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccc(N(CC)CC)cc1 1705546248 GEERRZDASIJVID-UHFFFAOYSA-N 479.654 3.511 10 10 JHCE CC(=O)N1CCN(CCn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)CC(C)C)CC1 1760620242 JWFGKRBAPMLRLC-UHFFFAOYSA-N 477.657 3.609 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864009305 DQVBNFQZZBZQKU-WNSKOXEYSA-N 483.528 3.559 10 10 JHCE 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NS(=O)(=O)c1ccc(CCN2C(=O)C(=Cc3ccccc3C(F)(F)F)SC2=S)cc1 2323840381 VKAGKNWYMQHXQP-UHFFFAOYSA-N 472.535 3.797 10 10 JHCE Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 15034539 JJZXOOWURNXYMJ-JVVDOCDTSA-N 456.545 3.687 10 10 JHCE Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)c2C)c1C 20356676 PGOTVLSDYUUAMN-DMNVVODESA-N 462.579 3.620 10 10 JHCE CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 33474933 YJTQZQDRKAKKRV-RQKAQPNHSA-N 474.652 3.663 10 10 JHCE O=C1/C(=C\c2c(NCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 33933363 MEFZNOTYLPSBJV-AMRJIULGSA-N 478.599 3.687 10 10 JHCE COc1ccc(-n2c(C)cc(C(=O)NCc3cccc(NC(=O)Cn4cccn4)c3)c2C)cc1 108676459 ZDFZWHDTPHRWDV-UHFFFAOYSA-N 457.534 3.868 10 10 JHCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1F 731346973 FFRUBDDHGQFNPC-IBGZPJMESA-N 453.605 3.593 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1O 1084198624 FQFKJMFSHOPFRU-JYRVWZFOSA-N 466.085 3.584 10 10 JHCE CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c12 1860270115 RGRZNIDJDMPBDQ-SFHVURJKSA-N 450.535 3.789 10 10 JHCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864008861 UCPGRINMJCGJQH-HXUWFJFHSA-N 468.941 3.712 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865025646 BDKDMUIWKPKAMO-NPMXOYFQSA-N 492.551 3.886 10 10 JHCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029785 VFWREOLVEADBPB-QFIPXVFZSA-N 492.576 3.808 10 10 JHCE CC(=O)Nc1ccc2[nH]cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866438611 FKSIOGMPXQSGGI-RUZDIDTESA-N 475.593 3.510 10 10 JHCE CCCC[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867147460 IFCNRBAOOHYCNJ-HXUWFJFHSA-N 470.529 3.990 10 10 JHCE CC[C@@H](NC(=O)[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868858112 VNIZTHXNMAPZKJ-JWQCQUIFSA-N 467.610 3.687 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3ccco3)C2=O)cc1 1873168784 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CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OC 1084133238 PWPNUFDRFSZIEP-ZSOIEALJSA-N 463.259 3.662 10 10 JHCE CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(O)c1 1084643281 LDSDCGSHJQTHKW-BOPFTXTBSA-N 472.339 3.976 10 10 JHCE CC(=O)N1CCN(c2ccccc2CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 1477709071 SANVFRUYVINNHT-UHFFFAOYSA-N 451.615 3.541 10 10 JHCE CC(=O)c1ccc(CNC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)nc1C 1596332828 SUISAXMBQCQBTL-YBFXNURJSA-N 457.552 3.639 10 10 JHCE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCSc1nccs1 1705669184 FPNCEATYPUKQSM-FGZHOGPDSA-N 461.657 3.950 10 10 JHCE CC(C)SCC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(N(C)C)c3)cc2[N+](=O)[O-])CC1 1860921236 PACOSBHXZOMUEA-UHFFFAOYSA-N 485.610 3.703 10 10 JHCE CCCC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861941754 ZKUOTKDSDOTEFW-DEOSSOPVSA-N 497.636 3.669 10 10 JHCE CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862297227 BTLPMVFEQUYYRX-OAQYLSRUSA-N 474.945 3.504 10 10 JHCE 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10 10 JHCE NC(=O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=S 2314541413 LLHBDGFMOSINNJ-CYBMUJFWSA-N 450.925 3.520 10 10 JHCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(CC)c3ccccc32)SC1=S 2314770162 ZXKRKNUPNZREAY-GOSISDBHSA-N 452.557 3.929 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3C(=O)O)CC2)cc1 33253109 NTDMLTOOFJZTRC-UHFFFAOYSA-N 497.573 3.529 10 10 JHCE COc1ccc(NC(=O)CSc2nccc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 33309918 MCYGHZOVBBJHGG-UHFFFAOYSA-N 465.579 3.551 10 10 JHCE Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33446858 DHNIMOKVQCDRIQ-GZTJUZNOSA-N 452.561 3.598 10 10 JHCE O=C(O)Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)cc1 39859330 ZYCTZGJNAGPQTI-NXVVXOECSA-N 475.345 3.804 10 10 JHCE Cc1ccc(-n2c(C)cc(/C=C\C(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c2C)cc1 209873228 JPWZRVJIWHZAEX-FLIBITNWSA-N 482.606 3.554 10 10 JHCE NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)cc1 526314862 IJJBWZFIOZLRLQ-XMMPIXPASA-N 488.521 3.956 10 10 JHCE CCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccc(OC)c(OC)c1 586229432 SBLFZUAIDAKQBV-UHFFFAOYSA-N 451.500 3.694 10 10 JHCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1C(=O)O 1084544701 CBZHKHRVZTZPBQ-ATVHPVEESA-N 463.490 3.763 10 10 JHCE C=CCCOCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCS(=O)CC1 1705826767 IXYRNQJRCPGNHD-UHFFFAOYSA-N 453.612 3.514 10 10 JHCE C[C@@H]1CN(C(=O)COc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2)C[C@@H](C)O1 1772724903 MLFYUQWYQDQGLN-YATXNGRTSA-N 472.588 3.696 10 10 JHCE CCCOc1cccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)c1 1858591094 XMOHYIDAYGRNIF-XMHGGMMESA-N 462.618 3.567 10 10 JHCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)CCC3CCCCC3)cc2)cc1 1858958215 NWTKJBSMKINSJH-UHFFFAOYSA-N 459.568 3.723 10 10 JHCE CCOc1cc(N2CCOCC2)c(OCC)cc1/N=N/N1CCN(C(=O)OC(C)(C)C)CC1 1860484412 LTGXNKYQEFRMKC-OCOZRVBESA-N 463.579 3.872 10 10 JHCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCC2)[C@H]3c2ccc(O)c(O)c2)c1 1865028129 PYSWSPNXLJACFI-QHCPKHFHSA-N 474.561 3.585 10 10 JHCE 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CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864018271 HJPSEIHYIGIZBJ-QFIPXVFZSA-N 494.567 3.901 10 10 JHCE COc1cc(C=C2SC(=S)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc(OC)c1OC 2296882962 GQEXMXIUMXKPDJ-UHFFFAOYSA-N 492.491 3.757 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1ccc(O)cc1 2296929559 HPJAQMGMXAAKHA-UHFFFAOYSA-N 452.264 3.612 10 10 JHCE COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 2297352421 DKIGHGVUMOKQEI-UHFFFAOYSA-N 492.384 3.670 10 10 JHCE CC(=Cc1ccccc1)C=C1SC(=S)N([C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)C1=O 2314832226 CKFRVFUZTKIDSJ-GOSISDBHSA-N 478.551 3.864 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1 6798451 IDLSUAUKYHUEON-HMAPJEAMSA-N 456.454 3.939 10 10 JHCE CCCCC1CCC(C(=O)NCCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 11796458 BNQLHDBGJDMIOB-UHFFFAOYSA-N 479.687 3.650 10 10 JHCE COc1cc(/C=C2/SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)ccc1OCCC(=O)O 16912266 LVBZMLQXCRPOBN-XDHOZWIPSA-N 455.492 3.590 10 10 JHCE 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JHCE CCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2040498928 QKURYHSRVYRUPK-UHFFFAOYSA-N 491.642 3.632 10 10 JHCE COc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C(=O)NC1=S 2293768961 BLALVMDCWCIMBD-UHFFFAOYSA-N 489.553 3.941 10 10 JHCE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(OC)c1 2294229345 LTNABNFCRZXOEM-UHFFFAOYSA-N 461.337 3.606 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)NCc4ccco4)c4ccccc34)C2=O)cc1 2297552042 PCLKILFKZYLKTO-UHFFFAOYSA-N 482.496 3.526 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)C=Cc3ccccc3Cl)CC2)cc1 2330454501 ORKOFMSQMNCBAI-JOCHJYFZSA-N 472.010 3.612 10 10 JHCE Cc1ccc(CN(C)S(=O)(=O)[C@H]2C[C@H](OCc3ccccc3)C2)c(O)c1Br 2380737055 JMBWKWOCFOFVAG-IYARVYRRSA-N 454.386 3.973 10 10 JHCE CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OC)C(=O)NC2=S)cc1 6508301 SKAJEVSHCOCZCM-WJDWOHSUSA-N 461.337 3.688 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C(=N)N21 20206702 CUQPVRGXZQMIQO-BIWIXZEJSA-N 468.560 3.585 10 10 JHCE 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3.886 10 10 JHCE CCOc1cc(Br)c(Br)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1O 33286597 CHFHYYRRCCCICH-YCRREMRBSA-N 497.186 3.602 10 10 JHCE CCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(N(CCC)CCC)cc3)N2N1 588226013 FGDCIHWYYHNQKP-DEOSSOPVSA-N 463.651 3.989 10 10 JHCE COc1ccc(N2CCN(CCCNC(=O)N3CCC[C@@H](CN4CCCCCC4)C3)CC2)cc1 728741435 OZWVEKLQUQHWEM-DEOSSOPVSA-N 471.690 3.505 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864017491 NOQZCWZFGUZLGN-OAQYLSRUSA-N 460.534 3.599 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865028765 ZZRWKXKMLFILEU-QHCPKHFHSA-N 474.561 3.853 10 10 JHCE CCCCOc1cn(CCCCCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870664853 NGHTTXIODWTLKR-UHFFFAOYSA-N 471.642 3.911 10 10 JHCE O=C1C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2040498543 MEIAFJROIQDTIS-UHFFFAOYSA-N 494.667 3.692 10 10 JHCE COc1ccc([C@@H](n2nc(C3CC3)c(C(N)=O)c2I)C(C)(C)C)c(O)c1 2080003194 JILKYCVQAJMBNY-MRXNPFEDSA-N 469.323 3.814 10 10 JHCE CCOc1cccc(N2C(=O)C(=Cc3cc(Br)c(OC)cc3OC)C(=O)NC2=S)c1 2313556122 NHDFJKDXBHVQLN-UHFFFAOYSA-N 491.363 3.696 10 10 JHCE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1C 2313631432 MRXUYCDCQXDZGC-UHFFFAOYSA-N 458.474 3.973 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O 2314414248 UHOVFDYQZNTITB-UHFFFAOYSA-N 450.589 3.879 10 10 JHCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)SC1=S 2314541134 FUCLJLLXCYQJDJ-ZDUSSCGKSA-N 450.925 3.520 10 10 JHCE COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3c(C)cccc3C)c3ccccc32)SC1=S 2533470 CWIJEXJLSZTFBA-XUTLUUPISA-N 481.599 3.507 10 10 JHCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 15038478 AVIFQTDXNYWXHZ-QINSGFPZSA-N 485.425 3.802 10 10 JHCE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 33474928 YVPARJATYPESEN-LZIVZJCPSA-N 474.652 3.519 10 10 JHCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 40940231 JSMKRHBLILQOTN-AUWJEWJLSA-N 465.896 3.509 10 10 JHCE 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COc1cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 20356343 IOBFNAOGAPSEDI-WTCJYIDHSA-N 489.557 3.895 10 10 JHCE N=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12 20356609 QYHAAISUGBAPCE-WQCWKDQBSA-N 473.967 3.993 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)N(CCCO)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 727601970 FYRFJCNJCFSWSS-UHFFFAOYSA-N 495.451 3.718 10 10 JHCE CCC[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861949033 KTOIBRZXSXKNAT-QHCPKHFHSA-N 458.002 3.915 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864010314 RSIZSBZTQRDOQO-JOCHJYFZSA-N 480.540 3.647 10 10 JHCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865027771 KVCRFQZBPKGYPE-QHCPKHFHSA-N 490.560 3.698 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCC(=O)c3cccs3)C(C)C)CC2)cc1 1868729565 MDFMXLQSSWIHLF-DEOSSOPVSA-N 471.623 3.599 10 10 JHCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(CC)CC)C1=O 1873169988 JZXFTNFUWKSZNU-UHFFFAOYSA-N 480.653 3.922 10 10 JHCE CC(C)(C)OC(=O)Nc1ccc2c(c1)N(C(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)CCC2 2200987776 KEMBEOSWHZQIMK-ICSRJNTNSA-N 473.570 3.897 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 2297352375 ZRCCXDAVTQDGAM-UHFFFAOYSA-N 499.523 3.996 10 10 JHCE COc1cc(C=C2SC(=S)N(C3CC(C)(C)NC(C)(C)C3)C2=O)cc([N+](=O)[O-])c1O 2323789951 NFRIGJUICVWYIT-UHFFFAOYSA-N 451.570 3.819 10 10 JHCE COc1ccc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1S(N)(=O)=O 14367452 QLHCPMPAJDTCSJ-UHFFFAOYSA-N 478.368 3.765 10 10 JHCE COc1ccc(N2CCN(c3ccc(C(=O)O)cc3NS(=O)(=O)c3ccc(OC)cc3)CC2)cc1 32961932 VHVFVILYKSRSQJ-UHFFFAOYSA-N 497.573 3.529 10 10 JHCE COCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 34366986 ZTSJNCWTDULLDF-XDJHFCHBSA-N 480.615 3.505 10 10 JHCE NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 39826476 FKBLGXJYVLJMHQ-LFIBNONCSA-N 483.434 3.540 10 10 JHCE COc1ccc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1S(N)(=O)=O 68738016 BOZZTEZTPGJPDD-UHFFFAOYSA-N 478.368 3.765 10 10 JHCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNc1nc2ccc(Br)cc2c(=O)[nH]1 101350374 UHJRHNGZBHKXHC-YVLHZVERSA-N 467.327 3.526 10 10 JHCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526560341 BOWSIFKIQGUNKG-DEOSSOPVSA-N 491.496 3.967 10 10 JHCE CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(CC)C3=O)c2C)sc2c1CCCC2 1084560007 FVBWXDYCEGYNER-ATVHPVEESA-N 485.631 3.858 10 10 JHCE Brc1cc(CNC[C@@]2(N3CCOCC3)CCSC2)ccc1N1CCCCC1 1308227994 YEQWONGNAZTPPT-NRFANRHFSA-N 454.478 3.737 10 10 JHCE CC(=O)N1CCCN(c2nnc(COc3ccccc3F)n2CCCSc2nccs2)CC1 1508232936 RXBMFHRZQWEDPO-UHFFFAOYSA-N 490.630 3.694 10 10 JHCE O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CCOc3ccc(Cl)cc3)c3ccccc32)SC1=S 1860827221 VEKCCDCCNXTVMW-HNENSFHCSA-N 488.974 3.812 10 10 JHCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864006940 BATDBVKVRVQFOZ-FQEVSTJZSA-N 468.941 3.712 10 10 JHCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864007648 REJDRNQHBAEDPI-NRFANRHFSA-N 492.919 3.849 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864009404 GRGCEZYQHPVGKA-PEBXRYMYSA-N 478.549 3.593 10 10 JHCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864010921 BXGJYKGZMGIHQP-NRFANRHFSA-N 482.968 3.915 10 10 JHCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864013211 SPNCADMDUCCYSH-QFIPXVFZSA-N 494.567 3.901 10 10 JHCE CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015074 JCMUYTNWRLZCMY-HNNXBMFYSA-N 494.857 3.786 10 10 JHCE CCOCCCn1cc(OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870435085 QGFPKYAZVPBEOX-UHFFFAOYSA-N 457.615 3.641 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873165936 XKXDFABDKJGDOD-UHFFFAOYSA-N 489.620 3.866 10 10 JHCE CN(C)c1ccc([C@](C)(O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 1917172019 DFTMSSGLYFMNRQ-SQHAQQRYSA-N 460.530 3.952 10 10 JHCE COc1ccc(Br)c(CN=c2[nH]c3c(s2)CN(C(=O)OC(C)(C)C)C3)c1O 2236054620 KMRQYYGNOYQNEW-UHFFFAOYSA-N 456.362 3.905 10 10 JHCE COC(=O)[C@H](C)N1C(=O)SC(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 2294002204 YRZZKOZJIPHKIV-ZDUSSCGKSA-N 459.480 3.609 10 10 JHCE O=C(C=C[C@H]1CC=CCC1)Oc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2296538245 IMPCYPFETZEDOE-WMZOPIPTSA-N 489.640 3.893 10 10 JHCE CCOC(=O)N1CCN(C(=O)CCN2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)CC1 2296755656 YDNZYAJUYMQNMF-UHFFFAOYSA-N 473.620 3.525 10 10 JHCE CCOc1cc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Cl)c1OCC 2297309333 CJHVREHACAGQLU-UHFFFAOYSA-N 463.943 3.591 10 10 JHCE COc1cc(C(=O)NN2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc(OC)c1OC 27230591 SXSLNSNSQASOCL-ODLFYWEKSA-N 483.571 3.750 10 10 JHCE CC[C@@H](C)N1C(=O)/C(=C\c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S 34890915 YIWBXRFAAPBTJM-APVMCDBPSA-N 482.635 3.701 10 10 JHCE Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)N(C)C(=S)N=C3O)cc2Br)cc1 96477326 PVIILMWRPPVXGC-DHDCSXOGSA-N 488.363 3.872 10 10 JHCE CCCOc1ccc(CC(=O)N[C@@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 1861901155 IMJANYLEBCXCJE-NDEPHWFRSA-N 481.637 3.969 10 10 JHCE COc1ccccc1OCCn1cccc1C=C1C(=N)N2N=C(N3CCCCC3)SC2=NC1=O 2297352798 XPNJXTPYTQQJQK-UHFFFAOYSA-N 478.578 3.638 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c(OC)c1 2313541697 VCWWTANFVDDMOA-UHFFFAOYSA-N 452.463 3.934 10 10 JHCE NC(=O)C[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 2314541329 JWWMKMOYFYDONG-GFCCVEGCSA-N 471.343 3.783 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccccc1)C(=O)c1ccccc1F 35960553 XLZSZWCYQPUGLI-DEOSSOPVSA-N 462.525 3.631 10 10 JHCE CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 59858632 LMYIJPQRACQJKV-NDENLUEZSA-N 460.450 3.814 10 10 JHCE COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2C(=O)O)cc1 64590234 NXHVJJIEZNINKS-UHFFFAOYSA-N 461.518 3.981 10 10 JHCE biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)C2=O)cc1 103071650 QXRRXVZIGHTYLV-RCCKNPSSSA-N 490.541 3.683 10 10 JHCE C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105526379 RBFPFAZNUAKLKI-KKPKCPPISA-N 451.478 3.938 10 10 JHCE CCOc1cccc(CN2CCC3(CC2)c2ccccc2[C@H](NC(=O)CSC)[C@@H]3OC)c1O 209152507 HQTDCMCBLMRTCT-ZCYQVOJMSA-N 470.635 3.874 10 10 JHCE COc1cc(/C=C2/SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc(OC)c1OC 210233193 FPQFNZMWBTYDSW-OMCISZLKSA-N 475.500 3.515 10 10 JHCE COCCN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3c(C)cccn3c2=O)SC1=S 213189457 FZFHBYNEHNVSNZ-ATVHPVEESA-N 471.535 3.782 10 10 JHCE O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1Cc1ccc(F)cc1 253575140 UGJYPFRFWADWBH-BHDDXSALSA-N 455.441 3.516 10 10 JHCE CC(=O)N1CCN(c2ccccc2CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CC1 726088935 ZEAZVNYMHZKBRH-UHFFFAOYSA-N 473.621 3.805 10 10 JHCE CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 1858590510 USTBHAUJZGMUOI-WBOGTDJTSA-N 450.376 3.996 10 10 JHCE Cc1ccc(S(=O)(=O)NC(=S)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C 1858607304 UQLIDQSBDMHOGL-UHFFFAOYSA-N 450.541 3.754 10 10 JHCE CC[C@](C)(NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862102460 ZLAUGHLTMCOILL-MHZLTWQESA-N 477.609 3.942 10 10 JHCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864007220 HXEWYASCFZLNPD-DEOSSOPVSA-N 498.539 3.612 10 10 JHCE COc1ccc(OC)c2c(=O)cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)[nH]c12 1866539624 BMJJZTFPGFYPRJ-OAQYLSRUSA-N 478.593 3.568 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C(C)C)n(-c4ccc(Br)cc4)n3)CC2)cc1 1869969413 MUXHWTDXLWUZFL-UHFFFAOYSA-N 499.413 3.960 10 10 JHCE CCOCCCN1C(=O)C(NCc2ccccn2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164237 RVIGUVWXKRSYIM-UHFFFAOYSA-N 458.562 3.785 10 10 JHCE CCCN(CCC)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1C 1873544007 MNTNQFLVEGADMI-UHFFFAOYSA-N 450.587 3.566 10 10 JHCE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(CCO)c3ccccc3)C2=O)cc1OC 2297349429 IMWLQJHPTRJDFJ-UHFFFAOYSA-N 486.615 3.711 10 10 JHCE Cc1ccc(-c2ccc(C=C3SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1[N+](=O)[O-] 2314650666 VORIXTPPSQPUDH-CYBMUJFWSA-N 476.488 3.682 10 10 JHCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)N3CCCCC3)c3ccccc23)SC1=S 2326945317 SSWZVMWEGYAPJO-UHFFFAOYSA-N 471.604 3.720 10 10 JHCE Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)c1C 867655 WHKSEQREHPGPDG-LDADJPATSA-N 465.487 3.718 10 10 JHCE O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/Nc1ccccc1NC(=O)C(F)(F)F 16450224 YXDNBNNGVIEPPG-FMIVXFBMSA-N 486.328 3.785 10 10 JHCE COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1 33447298 YQXWPJWICVJBLT-NUIIPWOLSA-N 466.519 3.801 10 10 JHCE Cc1cc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)n1-c1cccc(Br)c1 108416613 QKQLESZFEXQMEG-AWEZNQCLSA-N 476.396 3.995 10 10 JHCE O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(NC(=O)[C@H]2CCCO2)c1 726566347 VQQXXSWOCRPUIL-OAQYLSRUSA-N 459.493 3.804 10 10 JHCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864014227 PRWDUKCDUWXYTQ-QFIPXVFZSA-N 476.577 3.976 10 10 JHCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035457 UIPWFAQZRDCQOD-OAQYLSRUSA-N 494.979 3.875 10 10 JHCE CCCc1nc(N2CCC(c3nc(C)n(C)n3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869227616 RSSKOAHPJWADGB-UHFFFAOYSA-N 490.656 3.585 10 10 JHCE C[C@@H](c1ccccc1)N1C(=O)N[C@H](CCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1=O 1874017303 NNBKYLYATCYXLX-KSFYIVLOSA-N 481.508 3.862 10 10 JHCE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3nc4ccccc4s3)N=C2C)c1 2293934551 NQOWHUDMIKHMAR-UHFFFAOYSA-N 464.503 3.978 10 10 JHCE C[C@@H](O)CNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2296720333 RPWGAUKTVTUSFG-CYBMUJFWSA-N 487.006 3.542 10 10 JHCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCCO)nc3c(C)cccn3c2=O)SC1=S 2314414677 ISVRNAXCNLBNNL-INIZCTEOSA-N 474.652 3.825 10 10 JHCE Cc1ccc2nc(N3CCOCC3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2c1 2314648491 ZRBOWJHUXVAGKM-SFHVURJKSA-N 455.605 3.760 10 10 JHCE CCN1C(=O)/C(=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 2509055 AAPCTTHFXHZRDU-AKCBPTIMSA-N 453.383 3.566 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)N4CCc5ccccc5[C@H]34)CC2)cc1 4789340 BTLYKGSNCPUZMF-KAYWLYCHSA-N 467.569 3.881 10 10 JHCE COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 15056222 VOHXLIALIIVYHS-SXGWCWSVSA-N 479.377 3.964 10 10 JHCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(OC)c1OCCOc1ccc(C)cc1 20236547 VDYSNUYDUFFPPE-MSARIDDISA-N 463.490 3.920 10 10 JHCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1C 83311776 MTQOFWRBHFYKHT-NKFKGCMQSA-N 488.540 3.939 10 10 JHCE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc21 1654282820 URRDYRMKQYYGNL-YLJYHZDGSA-N 458.580 3.622 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)C(=O)N(CCCc3ccccc3)C4=O)CC2)cc1 1860363725 LFMIYRZYMGJNTE-UHFFFAOYSA-N 483.568 3.886 10 10 JHCE CCCC[C@H](NC(=O)C(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OCC)C(=O)O 1860759518 UXFMLWQCKFTTCZ-HNNXBMFYSA-N 464.515 3.737 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026367 MNCQPZIWRDVKNX-HSZRJFAPSA-N 492.551 3.887 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(C)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867979396 DPEDPSZQPWNTQA-UHFFFAOYSA-N 479.028 3.884 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873166580 DKJRPMHVDBMZOH-UHFFFAOYSA-N 455.514 3.855 10 10 JHCE CC(=O)NC1=NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)S1 2293763632 YKJYPQOBTNNHLM-UHFFFAOYSA-N 475.320 3.833 10 10 JHCE COc1ccccc1NC(=O)CCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2295914221 UTFFNPRAWIPHBA-UHFFFAOYSA-N 488.587 3.951 10 10 JHCE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(C(C)C)C3=O)c(=O)n2c1 2296547664 XWIIUAPSIKOSFZ-UHFFFAOYSA-N 460.625 3.840 10 10 JHCE C[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)c1)C(=O)O 2314932400 VOIWSIFNMWWZFH-LLVKDONJSA-N 462.936 3.738 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)n3c(=O)c(C(F)(F)F)nc4cc(C)c(C)cc43)CC2)cc1 32945054 SVBCPDWEZJTXLR-QGZVFWFLSA-N 488.510 3.951 10 10 JHCE CCOc1c(Br)cc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1OC 33406147 AIQHXBNGBYNMFF-RIYZIHGNSA-N 451.704 3.971 10 10 JHCE COC(=O)c1ccccc1NC1=NC(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)S1 39870189 MTNSKUPTNNAXLG-PFONDFGASA-N 458.293 3.640 10 10 JHCE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 40066500 PJKGAANDJNSREP-ODLFYWEKSA-N 486.594 3.647 10 10 JHCE Cc1cc(F)ccc1S(=O)(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 62694352 ICXYMMKRSSWEPX-UHFFFAOYSA-N 469.582 3.731 10 10 JHCE CC(=O)c1cc(F)cc(CN2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)c1O 1559981681 WZUWIGYXAPSZBD-HKUYNNGSSA-N 456.411 3.910 10 10 JHCE COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc5c(c4)OCC(=O)N5C)C3=O)c2c1 1860087587 IEVWHRDVUSMQSP-FBCYGCLPSA-N 451.529 3.938 10 10 JHCE CCN(CC)CCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(C)c(C)c2)c1C(=O)OC 1860760982 LBAXNSZJPLSZAF-UHFFFAOYSA-N 459.612 3.914 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3sccc3C)CC2)cc1 1862246144 VBOQXMANSGSFRK-HSZRJFAPSA-N 481.593 3.894 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864008574 NFNRPADFAHJWEI-ODXCJYRJSA-N 468.941 3.855 10 10 JHCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864013210 SPNCADMDUCCYSH-JOCHJYFZSA-N 494.567 3.901 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425508 BRPYEKMWBLKMHK-UHFFFAOYSA-N 488.563 3.757 10 10 JHCE COc1ccc(CCN2C(=O)c3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3C2=O)cc1OC 1873894746 XKBOJWKCSHSQPE-UHFFFAOYSA-N 473.529 3.861 10 10 JHCE Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1874019401 XBBPUKIAZQEXKU-QHCPKHFHSA-N 476.554 3.712 10 10 JHCE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(C)cc2)C1=O 2040499242 VPLBNWSVPNMYSO-SFHVURJKSA-N 494.642 3.896 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1C(=O)O 2296885082 AZXOHZIZJJKWOH-UHFFFAOYSA-N 462.936 3.974 10 10 JHCE CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc(-c4ccccc4Br)o3)S2)CC1 2297480147 MBYKKTDRPGEPGR-UHFFFAOYSA-N 460.353 3.844 10 10 JHCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NCCc1nnc(-c2ccccc2)o1 2314913665 PCIQSUDITIEXBM-UHFFFAOYSA-N 482.562 3.826 10 10 JHCE CC[C@@H](Oc1cccc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c1)C(=O)O 2314926322 GNXWWJZBICNFOK-AEFFLSMTSA-N 457.529 3.956 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15038006 RNDBFBQRJNHOPJ-WQRHYEAKSA-N 472.544 3.505 10 10 JHCE COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1 33351549 UEDHMTNQCCDQTG-MLPAPPSSSA-N 465.245 3.972 10 10 JHCE Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 39716346 ADHSLZCRKXTXIJ-SZAWMUEFSA-N 496.614 3.611 10 10 JHCE COC(=O)c1ccc2c(=O)n(-c3ccc(C)cc3)c(N3CCN(c4ccc(OC)cc4)CC3)nc2c1 65306609 BJYFPJRQCRXBHK-UHFFFAOYSA-N 484.556 3.816 10 10 JHCE COc1cncnc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 95471045 HOKSVGXPQSTNNY-ODLFYWEKSA-N 498.952 3.658 10 10 JHCE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 727743140 NZOUQEYHBWECDX-UHFFFAOYSA-N 487.025 3.618 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(NC(=O)CC(C)C)c(C)c3)cc2)CC1 1138228449 ACAQYDBLAZHHEY-UHFFFAOYSA-N 450.583 3.578 10 10 JHCE COc1cc(CNCCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(OC)c1OC 1860710647 WFUFBZNNSUTGGX-UHFFFAOYSA-N 474.513 3.606 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864020982 JUZUXHZHEIWGIE-FPDPHYFHSA-N 468.598 3.902 10 10 JHCE CCc1nn(C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865033350 XVIZKVDAWOWTJA-NRFANRHFSA-N 462.550 3.526 10 10 JHCE CC[C@H](NC(=O)c1cccc(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867826317 CFGIZEFEVKHIKV-DQEYMECFSA-N 450.627 3.913 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4CO)nc(-c4ccccc4C)n3)CC2)cc1 1867960967 DDZPPQQQRKVEMH-QFIPXVFZSA-N 459.594 3.748 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868708106 FXWMNVWJXHJZHV-BWKNWUBXSA-N 481.637 3.995 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C)n(-c4cccc(C)c4)n3)C(C)C)CC2)cc1 1868761669 WXAFDKHQEDIWFS-AREMUKBSSA-N 489.620 3.601 10 10 JHCE CCN(CC)CCN1C(=O)C(NCc2cccnc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164095 LNXGCULBIXYUBL-UHFFFAOYSA-N 471.605 3.701 10 10 JHCE O=C(CCC(=O)N1CCC[C@H]1c1nnc2ccccn12)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874018644 MBBNBWIAYXSPLE-NRFANRHFSA-N 493.523 3.587 10 10 JHCE O=C1C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2053497159 YANGOEUBGSIDGO-SFHVURJKSA-N 492.626 3.729 10 10 JHCE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(=O)n2c1 2053497513 MZTUTIVENVQEPT-INIZCTEOSA-N 482.587 3.588 10 10 JHCE C[C@@H](NC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1ccc(O)cc1O 2084895849 CTFHUDAKCSUAOV-OAHLLOKOSA-N 453.580 3.947 10 10 JHCE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CCCN(C(=O)OC(C)(C)C)c3ccccc32)=C[C@H]1O 2201002218 CVBRGRFJNRFKLS-FXAWDEMLSA-N 473.570 3.749 10 10 JHCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2297334347 AMOLOGGAUVSCDN-UHFFFAOYSA-N 461.405 3.979 10 10 JHCE Cc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)c1 2297345814 FMWGPLMOERXXJL-UHFFFAOYSA-N 496.570 3.614 10 10 JHCE C[C@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)C(=Cc2ccccc2Cl)SC1=S 2297500818 JTRUJOMLIVIEGJ-SNVBAGLBSA-N 462.936 3.972 10 10 JHCE CC(C)C[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)O 2297720148 NKEPISNZTDLAKF-QFQXNSOFSA-N 488.588 3.794 10 10 JHCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 1797425 UHZKDCBTVCRJKE-BRNLPKLHSA-N 487.628 3.510 10 10 JHCE O=C(O)CCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S 35227025 NLROXGAHZHXNRJ-FOWTUZBSSA-N 485.518 3.692 10 10 JHCE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c(OS(C)(=O)=O)c1 37421841 KEYUEQHRJFCSCW-FQEVSTJZSA-N 478.586 3.832 10 10 JHCE COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 96450598 RLHYPIZQQNBSDD-HTYYESGYSA-N 482.543 3.863 10 10 JHCE CCCCS(=O)(=O)N(CCN1CCCCC1)c1cccc2c1C(=O)c1ccccc1C2=O 586189781 PNQPYUBRDKGNOX-UHFFFAOYSA-N 454.592 3.884 10 10 JHCE O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)Nc1ccc2c(c1)CCCO2 726080937 USDDADPCEAQKQS-UHFFFAOYSA-N 462.529 3.589 10 10 JHCE CCCS(=O)(=O)NC1CCN([C@@H]2CC(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=O)CC1 915223135 BBSFEAHVBGQYGH-JOCHJYFZSA-N 483.594 3.528 10 10 JHCE COc1cccc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 1860588761 YNRXWLYVHYYFDE-UHFFFAOYSA-N 468.509 3.962 10 10 JHCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC)=C(N)O2 1864011603 WKLDRCJYYYQSNY-LJQANCHMSA-N 468.941 3.720 10 10 JHCE CCOc1ccc2[nH]c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc(=O)c2c1 1866505021 PPTJURDPJSNFJG-RUZDIDTESA-N 462.594 3.950 10 10 JHCE C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866835112 YXTMFHPZDXVXIK-OAHLLOKOSA-N 465.465 3.874 10 10 JHCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(OC)c3)CC2)n1 1867958322 SWUZICQJKWIQHR-UHFFFAOYSA-N 488.636 3.709 10 10 JHCE COc1cccc(OCCOc2ccc(C=C3C(=O)NN(c4ccccc4)C3=O)cc2OC)c1 2293456975 VSAIVVBTUFNRHL-UHFFFAOYSA-N 460.486 3.623 10 10 JHCE COc1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)N(c4ccccc4)C3=O)c2)cc1 2297335410 SEQHCEYSCQKGNI-UHFFFAOYSA-N 458.470 3.819 10 10 JHCE Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(N4CCCC4)SC3=NC2=O)c1C 20356372 ZZNUPOANGQCUFE-KKVJOTPGSA-N 477.550 3.983 10 10 JHCE COc1cc(/C=C2\SC(=S)N(c3cc(C(=O)O)cc(C(=O)O)c3)C2=O)cc(OC)c1OC 39861766 FPQFNZMWBTYDSW-SOFYXZRVSA-N 475.500 3.515 10 10 JHCE COc1ccc(N2CCC(NC(=O)[C@H]3CCCN3C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 110352727 ZVFCUKWKIBHMRO-PPXQLYMYSA-N 465.638 3.988 10 10 JHCE CC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1638052522 RETOSSRVSFRRKD-XPFMCRKWSA-N 456.564 3.734 10 10 JHCE Cc1nc(NC(=O)COc2cccnc2NC(=O)Oc2ccc(N)cc2)sc1C(=O)OC(C)C 1858692705 ANBLUUBHQOSLKW-UHFFFAOYSA-N 485.522 3.622 10 10 JHCE CCC[C@H](NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862101485 NYDDLSHCFUALEP-QHCPKHFHSA-N 477.609 3.942 10 10 JHCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008676 PLLOKTPVMQVBIZ-RUZDIDTESA-N 496.567 3.970 10 10 JHCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864009356 FZKSJJUERUEHDL-FQEVSTJZSA-N 468.941 3.677 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3ccccc3F)c3ccccc3)CC2)cc1 1868600385 VLFVDINKVOWQSU-MHZLTWQESA-N 475.564 3.973 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC=C(C)C)cn3Cc3ccncc3)CC2)cc1 1870609496 BTGSGWFAUAKLGH-UHFFFAOYSA-N 474.605 3.967 10 10 JHCE CCN(CC)CCCCNC(=O)c1ccc(CN2CCN(c3ccc(OC)cc3)CC2)cc1 1872884569 ZRHNCYUZMJFPNR-UHFFFAOYSA-N 452.643 3.869 10 10 JHCE CCc1nn([C@@H](c2ccc(OC)cc2O)C(C)C)c(I)c1C(=O)OC 2079980468 DVYRQMQUIIXBRS-MRXNPFEDSA-N 458.296 3.796 10 10 JHCE Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)C2=O)cc1 2296910585 QXRRXVZIGHTYLV-UHFFFAOYSA-N 490.541 3.683 10 10 JHCE Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)c1 2297362124 BKMYNUQUFRHRSV-UHFFFAOYSA-N 473.460 3.818 10 10 JHCE O=C1N=C(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)SC1=Cc1ccc(Cl)cc1 2297580060 JWSYNSOQOTVGJR-UHFFFAOYSA-N 479.945 3.875 10 10 JHCE CCOc1ccc(CC(=O)NCCN2C(=O)C(=Cc3cccc(OC)c3)SC2=S)cc1 2320656197 ZXLWQQQCBXSELS-UHFFFAOYSA-N 456.589 3.654 10 10 JHCE COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 35044343 MVDJPVCJQFLQIC-GESHDMKESA-N 484.559 3.738 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)NC(C)(C)C 35963219 XCHFLLQBALVFPP-OAQYLSRUSA-N 474.005 3.813 10 10 JHCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 65314187 RRKSDIUPNBZZNO-RUZDIDTESA-N 485.632 3.767 10 10 JHCE Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 104896124 KLOOYHHFOBRSHL-FDFHNCONSA-N 455.441 3.829 10 10 JHCE COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OC 1084065351 UVMHIWJDTPNKEY-ZROIWOOFSA-N 459.296 3.750 10 10 JHCE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1705887020 ZCFBNLQBORFUKV-UHFFFAOYSA-N 457.376 3.695 10 10 JHCE CC(=O)N1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCSc2nccs2)CC1 1722773275 XMHHDDFEARRMOV-UHFFFAOYSA-N 492.621 3.845 10 10 JHCE Cc1ccc(S(C)(=O)=O)c(C(=O)Nc2cccc(C(=O)Nc3cccc(N(C)C)c3)c2)c1 1859119375 URHMTBOBUACZSV-UHFFFAOYSA-N 451.548 3.969 10 10 JHCE CCN1C(=O)CCc2cc(-c3csc(NS(=O)(=O)c4ccc(OC)c(OC)c4)n3)ccc21 1859573070 CUTDNOLPMTTYSC-UHFFFAOYSA-N 473.576 3.927 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)N[C@H](CC(C)C)C(=O)O)sc(C)c1-c1ccc(OCC)cc1 1860762847 SYCZTMWWQUEEFW-QGZVFWFLSA-N 490.578 3.853 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)[C@H](C)Oc3ccccc3C(C)C)CC2)cc1 1862209780 VQDNOMRCDHQEST-GBXCKJPGSA-N 497.661 3.836 10 10 JHCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864020003 UCDNFLLBDWFTCW-LJQANCHMSA-N 468.941 3.719 10 10 JHCE CCC[C@@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866894035 CFHKMHYQUMFPOF-HSZRJFAPSA-N 494.551 3.966 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCc3cnc[nH]3)CC2)cc1 1870352539 ZKKQNESXROBABC-UHFFFAOYSA-N 479.625 3.570 10 10 JHCE CCOC(=O)c1c(CC)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2079978436 AIPMDCZTABWJGR-QGZVFWFLSA-N 470.307 3.940 10 10 JHCE COc1cc(C=C2C(=N)N3N=CSC3=NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2293253045 ICDOEEKILAQMMK-UHFFFAOYSA-N 468.407 3.553 10 10 JHCE C[C@@H](C(=O)O)N1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2293308665 RZHZCDAPUAIOOC-NSHDSACASA-N 458.948 3.931 10 10 JHCE COc1ccc(C=C2SC(=S)N(c3ccc(N4CCN(C)CC4)cc3)C2=O)cc1OC 2321683463 ZBKNIZVKNRJSKH-UHFFFAOYSA-N 455.605 3.861 10 10 JHCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 1258787 OUMQFDZHKRFVJP-HDAKKWKLSA-N 492.626 3.802 10 10 JHCE O=C(O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 1766377 OPMBYWUSDMJJED-WUKNDPDISA-N 489.372 3.652 10 10 JHCE Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)c2C)cc1F 11591679 LAXXWEWVSDKQDK-AREMUKBSSA-N 461.493 3.954 10 10 JHCE Cc1ccc(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 248058747 PKNQQRGWNIHGLG-CPJSRVTESA-N 499.658 3.844 10 10 JHCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864016268 KWVLIWITFMULBB-NRFANRHFSA-N 492.576 3.516 10 10 JHCE CCCCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C 1875196388 VGQADADEIHGNPF-UHFFFAOYSA-N 480.613 3.558 10 10 JHCE COC(=O)c1c(C)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079955543 BZOSNRWMCKLWGC-HNNXBMFYSA-N 458.296 3.932 10 10 JHCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCCOc4ccccc4)c3)C2=O)cc1 2293453467 PHOCRPHWIKBTNO-UHFFFAOYSA-N 458.470 3.819 10 10 JHCE Cc1cccc(OCCOCCOc2ccc(C=C3C(=O)NN(c4ccccc4)C3=O)cc2)c1 2297306657 SAPNHCNADAKQAO-UHFFFAOYSA-N 458.514 3.931 10 10 JHCE COc1ccc(N2CCN(C(=O)C=Cc3cc4cc(Br)ccc4[nH]c3=O)CC2)cc1 2323738963 FFYMOKVRPLPBSK-UHFFFAOYSA-N 468.351 3.661 10 10 JHCE COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)CCC3CCCCC3)CC2)cc1 38483343 WMYUPQJCBVWUST-UHFFFAOYSA-N 491.640 3.638 10 10 JHCE Cc1cc2nc3s/c(=C/c4cc(C)n(-c5cc(C(=O)O)cc(C(=O)O)c5)c4C)c(=O)n3c2cc1C 59678921 RLISPTZFESUXOU-SSDVNMTOSA-N 487.537 3.878 10 10 JHCE CN(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)[C@@H]1CCS(=O)(=O)C1 1088687233 HHFQPTSVFIQSDD-YQYFLZKSSA-N 483.036 3.878 10 10 JHCE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(N(CC)CC)cc1 1705491449 CUUMKTCWLQIFGP-OAQYLSRUSA-N 472.641 3.805 10 10 JHCE C#CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@@H]1CCN(CC)C1 1705622246 CAZJSTPOGKXFGV-HSZRJFAPSA-N 460.626 3.780 10 10 JHCE COCC(=O)N1CCC(C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)CC1 1860629851 IYXOHQQFQLOEBD-UHFFFAOYSA-N 458.580 3.950 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864010157 IZKUOUKTPZCZPF-OAQYLSRUSA-N 462.550 3.765 10 10 JHCE CC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867644484 WPAYGANMIQLSRB-FTJBHMTQSA-N 493.652 3.563 10 10 JHCE CC[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867889226 VCTSRHRIDOPPAO-FTJBHMTQSA-N 479.669 3.670 10 10 JHCE CCN1C(=O)C(NCC2CCC(C(=O)OC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170475 AZUOIBWZPBCROW-UHFFFAOYSA-N 463.578 3.763 10 10 JHCE CCOCCCN1C(=O)C(=Cc2c(N3CCCCC3)nc3c(C)cccn3c2=O)SC1=S 2040469240 FVYQEDPRUSXOIL-UHFFFAOYSA-N 472.636 3.621 10 10 JHCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(N2CCCC2)c(F)c1 2294106440 VUGDGYOGRWXFKJ-UHFFFAOYSA-N 458.287 3.855 10 10 JHCE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)SC1=S 2296538221 GLQRJMWHRAEWNS-UHFFFAOYSA-N 451.573 3.962 10 10 JHCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)CC(C)C)c2C)cc1 2297345636 NXULWLKEMMMQPT-UHFFFAOYSA-N 499.618 3.750 10 10 JHCE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3N(C)C)C2=O)c1C 2313548407 VKDCJIZCUIGLRS-UHFFFAOYSA-N 487.310 3.707 10 10 JHCE COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 8979838 UKBAJWIQBXNAKC-NRFANRHFSA-N 492.601 3.791 10 10 JHCE Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2ccccc2N[C@@H]3c2ccc(O)cc2O)cc1 21659008 WHALLIWMRYLJDK-HSZRJFAPSA-N 480.524 3.929 10 10 JHCE COCCNC(=O)Cn1cc(/C=C2\C(=O)N(Cc3ccccc3Cl)C(=O)N=C2O)c2ccccc21 33458417 FNMLONWVBJOCOI-UNOMPAQXSA-N 494.935 3.560 10 10 JHCE CCOc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OCC 1084584572 IHMYJWUYIHVGGO-SFQUDFHCSA-N 487.350 3.951 10 10 JHCE CC(=O)c1ccc(S(=O)(=O)CC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cc1F 1169945444 ZOMYPXXSIYCPKD-UHFFFAOYSA-N 456.539 3.568 10 10 JHCE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(C)n(-c4ccc(Br)cn4)c3C)[C@H]2C1 1629127635 ICYMVXLPNIBCJZ-FFZOFVMBSA-N 459.388 3.628 10 10 JHCE COc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 1860591216 MKQMTTOHQUGSFO-UHFFFAOYSA-N 498.535 3.727 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864009660 JPVWBCSNWSCUSK-FQEVSTJZSA-N 486.931 3.664 10 10 JHCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@H](C)CC)[C@H]2c1ccc(O)c(O)c1 1864017374 KPHPTYKWKGALJZ-VFNWGFHPSA-N 492.576 3.989 10 10 JHCE CC(C)[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)N1C(=O)c2ccccc2C1=O 1865901398 BJBDCHFHTXGEPV-JWQCQUIFSA-N 476.621 3.717 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C4CCC4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869969954 BGYFTFYAVXYHRX-UHFFFAOYSA-N 466.973 3.995 10 10 JHCE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)C1 2296706792 UICGYMWJRHNAJH-BBWFWOEESA-N 484.647 3.557 10 10 JHCE CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)NN(c2cccc(Cl)c2)C1=O 2297319216 DIUPGRBVFQAROY-UHFFFAOYSA-N 479.714 3.506 10 10 JHCE Cc1c(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c2ccccc2n1CC(N)=O 2297341248 YLTXSGFHMFGEJH-UHFFFAOYSA-N 487.368 3.573 10 10 JHCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C[C@@H]2CCCO2)C1=O 2314413825 ISFOXFAJXZCKHS-HNNXBMFYSA-N 458.609 3.677 10 10 JHCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCCC(=O)O 16912037 ZWPYMNBXFPGUFX-GZTJUZNOSA-N 492.962 3.748 10 10 JHCE CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(S(=O)(=O)CC)SC4=NC3=O)c2C)cc1 20208571 LSUFLJVFFAFBKO-VKGGKSIRSA-N 485.591 3.504 10 10 JHCE COc1cc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccco1 33390713 UVSSFJCEGOZOGO-MHWRWJLKSA-N 472.375 3.988 10 10 JHCE COc1ccc(CCNC(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38620064 GOEDXTIDAFDIEN-VWLOTQADSA-N 478.593 3.702 10 10 JHCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 39989961 WNOIMBIKFRYPMR-RGEXLXHISA-N 474.652 3.666 10 10 JHCE Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)c1 64972507 ABIGWGOFFJXELC-RUZDIDTESA-N 477.630 3.801 10 10 JHCE Cc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526315359 LMDNDVNGUCFMGB-QHCPKHFHSA-N 463.559 3.766 10 10 JHCE CCCC[C@@H](NC(=O)c1cc(Cl)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862138105 FZLHBWMVWAZMGK-JOCHJYFZSA-N 474.001 3.995 10 10 JHCE CCCC[C@H](NC(=O)COc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862194958 GODCFMNLDRQQPB-VWLOTQADSA-N 467.610 3.715 10 10 JHCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864010425 MZSZDBCSYHPVBU-YCRPNKLZSA-N 462.550 3.845 10 10 JHCE CCCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867970904 ORJIRVDSXTUMDD-UHFFFAOYSA-N 496.656 3.821 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1 1868764535 KAUQYOZULNHRIS-CYFREDJKSA-N 487.641 3.600 10 10 JHCE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CC3)C2=O)CC1 1873162114 GZAAQRCPEBGRJL-UHFFFAOYSA-N 476.577 3.547 10 10 JHCE N=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)cc(I)c2O)N1 2059039251 UGXPAWOTZVMJLP-CYBMUJFWSA-N 484.095 3.606 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C(=N)N21 2297345506 CUQPVRGXZQMIQO-UHFFFAOYSA-N 468.560 3.585 10 10 JHCE Cc1cccc2c1NC(=O)C2=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 2314764605 HPYZPOCAHUBEGI-UHFFFAOYSA-N 474.361 3.626 10 10 JHCE COc1cc(/C=C\C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc(OC)c1OC 104370283 GQXBMBZXFWQAOI-TWGQIWQCSA-N 476.577 3.973 10 10 JHCE CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)O[C@@H](C)C2 730480813 DYTHHFBQKWNUSF-JYFRSGACSA-N 477.605 3.530 10 10 JHCE CN(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)[C@H]1CCS(=O)(=O)C1 1088687232 HHFQPTSVFIQSDD-PACYTGELSA-N 483.036 3.878 10 10 JHCE C=C(C)Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705721519 GHNNIGNVBSQCJP-OAQYLSRUSA-N 453.612 3.942 10 10 JHCE C=C(C)COCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCS(=O)CC1 1705730836 OEEJKCMAQLCQLN-UHFFFAOYSA-N 453.612 3.514 10 10 JHCE CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCSc2nccs2)CC1 1760618553 KFIVBDUZHMWSQD-UHFFFAOYSA-N 486.667 3.781 10 10 JHCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1864008176 DXRPRDSLRPQJIT-RUZDIDTESA-N 496.567 3.970 10 10 JHCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@H]2c2ccc(O)c(O)c2)cc1 1864011127 ZQHUTYXRVZTIOG-RCDICMHDSA-N 462.550 3.757 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864020074 VMAZZAYYYUUURP-JOCHJYFZSA-N 476.577 3.680 10 10 JHCE CN(C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865031865 PTGZYNGTDPABPY-OAQYLSRUSA-N 474.561 3.984 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCC(NC(=O)OC(C)(C)C)CC4)nc(C)n3)CC2)cc1 1867989469 KCJTWBMZFJJTFL-UHFFFAOYSA-N 482.629 3.614 10 10 JHCE COc1ccc([C@@H](C(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868880949 NDTOGFVZQMMVRA-FNZWTVRRSA-N 479.621 3.831 10 10 JHCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869200947 JZPZNSWBWAIZJL-UHFFFAOYSA-N 498.631 3.537 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3ccccc3)C2=O)cc1 1873165063 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NMMMSDOSERJQHR-UHFFFAOYSA-N 480.634 3.932 10 10 JHCE O=C(O)CCCCCNC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 15038486 CBQPGAJDIKPWPJ-QINSGFPZSA-N 485.425 3.802 10 10 JHCE O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 16922642 YFVDOZHIHRDKHS-SXGWCWSVSA-N 494.497 3.922 10 10 JHCE CC(C)CN1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 39983477 HFEPMICVGZUXJT-VXLYETTFSA-N 494.598 3.893 10 10 JHCE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 47152400 XCPZRANJWUURLU-OKHBPPCESA-N 458.477 3.731 10 10 JHCE COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccc(N(C)C)cc4)nc32)cc1 65293968 XKMVQQGUKAOORB-UHFFFAOYSA-N 464.595 3.618 10 10 JHCE C[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105512855 PKMFCOXSWVRCGE-NSXWQBIQSA-N 465.505 3.808 10 10 JHCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1705653409 GUZURNYOKWARGO-OAQYLSRUSA-N 476.650 3.681 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cn(-c4ccc(N5CCCCC5)cc4)c(=O)cc3O)CC2)cc1 1870129943 CEJSDJWYGHKZDG-UHFFFAOYSA-N 488.588 3.504 10 10 JHCE CCOC(=O)CCOc1cn(CCC(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870454478 VPCRDYVSGKSSSH-UHFFFAOYSA-N 485.625 3.557 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(N(C)C)ncnc4n3Cc3ccccc3)CC2)cc1 1873555501 ZYIAHNJOFFSYAI-UHFFFAOYSA-N 470.577 3.517 10 10 JHCE CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2201000859 AHDKQTOWQLTIHF-UYAOXDASSA-N 473.570 3.897 10 10 JHCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cccn1-c1ccc(C(=O)O)cc1 2294216879 LGOKCPVJFFWIGN-UHFFFAOYSA-N 496.342 3.769 10 10 JHCE COc1ccccc1-n1c(C)cc(C=C2C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)c1C 2297346439 DDLHAUJFJAEAHJ-UHFFFAOYSA-N 499.618 3.750 10 10 JHCE Cc1ccc(CNC(=O)C[C@]2(NC(=O)OC(C)(C)C)CCSC2)c(O)c1Br 2381127578 YNJFWWIJUHECDS-LJQANCHMSA-N 459.406 3.870 10 10 JHCE Cc1ccc(CN(C)C(=O)CC(F)(F)CNC(=O)OC(C)(C)C)c(O)c1Br 2381136968 DFJZDPQJEACRHY-UHFFFAOYSA-N 451.308 3.972 10 10 JHCE Cc1cccc(N2C(=O)/C(=C3\C(=O)N(CN4CCN(C)CC4)c4ccccc43)SC2=S)c1C 33677525 YOWPKLFIRPRZKA-QURGRASLSA-N 478.643 3.631 10 10 JHCE CCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 35300233 OUPZEHNMLJCJSU-PDGQHHTCSA-N 466.588 3.845 10 10 JHCE CN(C)c1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 72413279 WIGDTXLORVZLHU-DEOSSOPVSA-N 470.504 3.799 10 10 JHCE CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 97464734 CBIORHWQXDOQIW-MIQLPHMESA-N 480.615 3.587 10 10 JHCE C[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)c1ccc(N2CCOCC2)cc1 109190976 UHQZEVZGWAYRRP-YADARESESA-N 459.546 3.561 10 10 JHCE Cc1ccc2nc(N3CCOCC3)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2c1 208280281 ZRBOWJHUXVAGKM-ACRNLXFHSA-N 455.605 3.760 10 10 JHCE CCCN(c1cccc2c1C(=O)c1ccccc1C2=O)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586233594 UPFCXXHNSIKLNT-UHFFFAOYSA-N 450.472 3.976 10 10 JHCE COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)c(C)c1 727245299 GWMRUUZYYCDOHD-UHFFFAOYSA-N 487.603 3.775 10 10 JHCE CC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861969129 UMCKSMZCXMPRPM-IBGZPJMESA-N 480.392 3.868 10 10 JHCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864019900 RDXIFRAYGQYNTO-HXUWFJFHSA-N 482.968 3.966 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865035475 UYQXZSWKHHMYPM-QYWGDWMGSA-N 468.598 3.712 10 10 JHCE COc1cccc2c1C(=O)N([C@@H](C(=O)Nc1ccc3c(c1)C(=O)c1ccccc1C3=O)C(C)C)C2=O 1865835612 LIAFPIUBNUHUPU-HSZRJFAPSA-N 482.492 3.730 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCC3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873165872 UTRPQRQPAKCYLT-UHFFFAOYSA-N 457.578 3.993 10 10 JHCE COc1ccc([C@H]2[C@H](C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)OCC(=O)N2C(C)C)cc1 1890866316 JSLZUXDIWOHEDF-VPGCXLQWSA-N 477.605 3.677 10 10 JHCE COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1891727997 XPEYTXUODVKMHO-YJBOKZPZSA-N 451.386 3.925 10 10 JHCE O=C1C(=Cc2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2040517822 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455.356 3.529 10 10 JHCE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3c(C)cc(C(C)(C)C)cc3C)cc2)CC1 1668581085 FKUHEVXBIADJKL-UHFFFAOYSA-N 457.640 3.748 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)c(C)cc4OC)cn3)CC2)cc1 1858431982 LTPWKUFZDAAUPE-UHFFFAOYSA-N 482.606 3.843 10 10 JHCE CCN1C(=O)COc2ccc(C(=O)[C@@H](C)Oc3cccnc3NC(=O)Oc3ccc(N)cc3)cc21 1858694787 NHQNLRUUASHKKF-OAHLLOKOSA-N 476.489 3.670 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCc3nc4ccccc4[nH]3)C2=O)cc([N+](=O)[O-])c1O 1860087011 VOVDQDARNCZFRK-MHWRWJLKSA-N 456.505 3.629 10 10 JHCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864011575 VMAFSFOAVQMVGN-OAQYLSRUSA-N 462.550 3.764 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864013832 HBDMAFZZSQDVMH-VFNWGFHPSA-N 462.550 3.839 10 10 JHCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1865033719 HBOGUTOAHNBXFY-OAQYLSRUSA-N 492.576 3.850 10 10 JHCE CCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865034916 HQETYSBMOOHFNZ-NRFANRHFSA-N 460.534 3.551 10 10 JHCE COc1cc(/C=C2/C(=O)N(Cc3ccccc3Cl)N=C2C)ccc1OCCN1CCOCC1 1865665583 BKMGLHISAOSRBQ-RCCKNPSSSA-N 469.969 3.861 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)c2cc(O)c3ccc4cccnc4c3n2)c2nccn2C)cc1 1866514202 JACSDNVBQHOQMG-HSZRJFAPSA-N 452.518 3.808 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(C)cc4C(C)(C)C)n(C)n3)CC2)cc1 1869969395 MJQHYDUPTJJXNX-UHFFFAOYSA-N 492.624 3.774 10 10 JHCE CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CC(C)C)C1=O 2040498120 CQBNDRLFPWNOQE-UHFFFAOYSA-N 460.625 3.699 10 10 JHCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)C(=O)N=C2SC=NN12 2293338380 BLKAGASATGOLNI-UHFFFAOYSA-N 455.293 3.917 10 10 JHCE COc1cccc(OCCOc2c(OC)cc(C=C3C(=N)N4C=CSC4=NC3=O)cc2OC)c1 2297313943 LACSMNLWVSKFPN-UHFFFAOYSA-N 481.530 3.947 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1 2313555848 AMTOFPSRXAGIHA-UHFFFAOYSA-N 472.453 3.669 10 10 JHCE Cc1cc(CCNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c(C)n1-c1ccccc1 11085523 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CCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864018800 QYYMKIAEEFNPLE-QMHKHESXSA-N 497.555 3.813 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)C[C@@H](NC(=O)C(F)(F)F)c2ccccc2)c2nccn2C)cc1 1866061579 WLUAJHOKXIZZAR-CTNGQTDRSA-N 473.499 3.502 10 10 JHCE CCC[C@H](NC(=O)CCc1ncc2ccccn12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866894036 CFHKMHYQUMFPOF-QHCPKHFHSA-N 494.551 3.966 10 10 JHCE COC(=O)c1ccccc1NCN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S 2313503020 CEHXTXSIFPMYEC-UHFFFAOYSA-N 474.560 3.770 10 10 JHCE COc1ccc(C2=NN(CC(C)C)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332106659 QKXCMQVMOVEPTA-UHFFFAOYSA-N 493.604 3.701 10 10 JHCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OC(=O)c1ccc(OC)c(OC)c1 20236645 IZASPQVKNVVGJX-NHIMQZIGSA-N 477.473 3.772 10 10 JHCE CCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 40066432 IVNAWXSCFFDKQZ-MOSHPQCFSA-N 482.631 3.898 10 10 JHCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)C1=O 210494381 XPFFCELQKCMBKK-ZGCGSHIDSA-N 482.539 3.869 10 10 JHCE O=C(O)CCCNC(=O)CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S 210705976 QBWXMZKZVPFLLL-XDJHFCHBSA-N 454.573 3.926 10 10 JHCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526353118 FUMYOGVILUIMDK-QHCPKHFHSA-N 477.469 3.959 10 10 JHCE CC(C)[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)Nc1ccc(O)cc1 1081156890 QVJPRUHOPCMDPS-TVNWYLLRSA-N 469.588 3.616 10 10 JHCE CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(Br)o3)C2=O)c1 1083993220 XOBSYLWYTOTKEM-GHXNOFRVSA-N 484.100 3.870 10 10 JHCE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)cc2C)CC1 1540928689 ARJYRACXWJYISP-UHFFFAOYSA-N 461.614 3.518 10 10 JHCE CC(=O)c1cc(F)cc(F)c1OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1643694264 MRBHTYWHXGHUSG-ZIAGYGMSSA-N 450.457 3.615 10 10 JHCE CCN(Cc1ccccc1)C(=O)c1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccn12 1858224010 LBGQYIMGTBSIPG-UHFFFAOYSA-N 497.599 3.968 10 10 JHCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488615 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FVWAAXOHTGZFFT-UHFFFAOYSA-N 479.606 3.941 10 10 JHCE COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)c1 35625062 PGJOMAKENPNBAH-WOJGMQOQSA-N 473.532 3.929 10 10 JHCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)CC(C)(C)C 35963758 HXLIFUPNXUOCRU-QHCPKHFHSA-N 498.624 3.631 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3C(F)(F)F)CC2)cc1 1861926098 WXHDKSXUIHIXLW-NRFANRHFSA-N 461.484 3.667 10 10 JHCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865025788 CWTXYHADBUMTMB-JOCHJYFZSA-N 460.534 3.689 10 10 JHCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865033635 FKZMLXRSLSJHGZ-MRXNPFEDSA-N 480.487 3.676 10 10 JHCE COc1ccccc1C(=O)NC(C)(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867907270 AFJSLOCHATUEKA-QHCPKHFHSA-N 466.626 3.613 10 10 JHCE CCOC(=O)CCOc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870878972 OPFJKPIJFCHWQJ-UHFFFAOYSA-N 451.523 3.528 10 10 JHCE CCCCc1ccc(Nc2nc(=NCCOC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 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453.388 3.926 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)cc4oc(=O)c5c(c34)CCC5)CC2)cc1 1860275881 IJIFNFOVZLHYER-GOSISDBHSA-N 462.546 3.715 10 10 JHCE COCC(=O)N1CCC[C@H](C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)C1 1860656086 XSZAAEFJVGLOHH-SFHVURJKSA-N 458.580 3.950 10 10 JHCE CCCC[C@@H](NC(=O)COc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862194957 GODCFMNLDRQQPB-RUZDIDTESA-N 467.610 3.715 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864013614 DLHPESWLLMUGFN-QHCPKHFHSA-N 490.604 3.956 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865035585 XEQVKZCFVLUPKR-HXUWFJFHSA-N 454.571 3.610 10 10 JHCE CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCOC 1875219537 GMSYAQDJCQTZFY-UHFFFAOYSA-N 480.613 3.651 10 10 JHCE COc1ccc(N2CCN(C3=C(C(=O)Nc4ccccc4)S(=O)(=O)c4ccccc43)CC2)cc1 10011510 ODTHXZBVAFYVAA-UHFFFAOYSA-N 475.570 3.612 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 16922554 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496.995 3.868 10 10 JHCE Nc1ccc(CC(=O)Nc2cc(I)cc(I)c2)cc1 709806882 AXTOEYGQDDKECK-UHFFFAOYSA-N 478.071 3.659 10 10 JHCE CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O 1084267873 ZTPZXIVKLOOTLA-AQTBWJFISA-N 457.324 3.941 10 10 JHCE O=C1/C(=C/c2ccc(-c3cc(F)c(F)c(F)c3)o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1614374614 GNCKCIACXDBLBD-CBQSTYFFSA-N 459.492 3.752 10 10 JHCE C=CCN(CCOC)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1C[C@H]1CCCCS1(=O)=O 1705881486 QLJAJQVGZMWWAJ-HSZRJFAPSA-N 497.665 3.959 10 10 JHCE COC(=O)c1ccc(O)c(-c2csc(NS(=O)(=O)c3ccc(Br)s3)n2)c1 1858073927 OGGMOMDYPBYUPS-UHFFFAOYSA-N 475.367 3.927 10 10 JHCE CCCC[C@H](NC(=O)c1ccc2nc(C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862104606 HPNPXMYNWOFWJP-QHCPKHFHSA-N 463.582 3.517 10 10 JHCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1864022555 ONKRCZNAAIBOBG-MRXNPFEDSA-N 480.487 3.723 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865035366 RRTWDSGKTVIFPJ-NRFANRHFSA-N 468.598 3.998 10 10 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454.571 3.610 10 10 JHCE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cccc3ccccc23)N2CCCCC2)cc1 1867653018 VUDSRQSFNPCKSP-AREMUKBSSA-N 458.606 3.979 10 10 JHCE Cc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(=O)(=O)C(C)C)cc2)cc1 2297346023 XBNHVTIPLSCFKN-UHFFFAOYSA-N 496.570 3.614 10 10 JHCE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2302399227 JRLHFCMUANKQPY-INIZCTEOSA-N 458.514 3.910 10 10 JHCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)C(=Cc3cccc(O)c3)SC2=S)cc1 2314837883 XYFOZFOUHICQAC-ZDUSSCGKSA-N 456.545 3.797 10 10 JHCE CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc5c(c4)NC(=O)CO5)c(C)s3)ccc21 11857999 BSMZRYSOEGKUPB-UHFFFAOYSA-N 498.586 3.549 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4)cc3)C(=N)N21 20206738 WBSOLIJBWKOPAS-VBOUZPDUSA-N 498.586 3.546 10 10 JHCE CCOC(=O)COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc1 33317044 STFYRZFAWMPFLO-YVLHZVERSA-N 473.279 3.898 10 10 JHCE COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(I)c1O 104240123 RXTAJZWFOQUHEQ-MKMNVTDBSA-N 478.242 3.510 10 10 JHCE CCOC(=O)Oc1ccc(C(=O)Nc2ccc(CNC(=O)c3cc(O)c(O)c(O)c3)cc2)cc1 216626028 XRARSKAAAZEMSS-UHFFFAOYSA-N 466.446 3.521 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCSc2nccs2)[C@@H](C)C1 1722783733 BPDWNMHMMCSXSF-HNNXBMFYSA-N 487.611 3.549 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)Nc4ccc(F)cc4)n4ccccc34)CC2)cc1 1858228884 GJXVOWXHXMCADT-UHFFFAOYSA-N 473.508 3.697 10 10 JHCE CCN1C(=O)CCc2cc(-c3nc(NS(=O)(=O)c4ccc(C(=O)O)cc4)sc3C)ccc21 1859570487 OVDQWYUFJWSLOZ-UHFFFAOYSA-N 471.560 3.917 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)CC2)cc1 1862217907 XXFPEKYPKJXXOI-FQEVSTJZSA-N 467.610 3.830 10 10 JHCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864018917 DGIRTXCWPXULCG-HXUWFJFHSA-N 482.968 3.778 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865030166 DTZYHLZIFFLUOR-FQEVSTJZSA-N 454.571 3.752 10 10 JHCE CCCN(CCC)c1cccc(C(=O)NC(C)(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 1868602710 HLMZGIATPRXMQA-UHFFFAOYSA-N 481.641 3.574 10 10 JHCE CCC[C@H](NC(=O)C[C@@H](C)c1cccc(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868944288 WMRAMGMZLWNXBY-NLFFAJNJSA-N 467.610 3.831 10 10 JHCE COc1ccc(N2CCN(c3nc(=NCC(C)C)[nH]c(=Nc4cccc(Cl)c4C)[nH]3)CC2)cc1 1871490054 UEBMTLZUUPKHDC-UHFFFAOYSA-N 482.032 3.824 10 10 JHCE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)C=Cc1ccc(N2CCCCCC2)cc1 2040480003 FSBFBPNQXWOYCZ-XMMPIXPASA-N 484.666 3.912 10 10 JHCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccccc1OS(=O)(=O)c1ccccc1 2297364925 CMTUIWHISZAAFQ-UHFFFAOYSA-N 482.901 3.774 10 10 JHCE CC1=NN(c2ccc(I)cc2)C(=O)C1=CNc1ccc2nc(O)[nH]c2c1 2297511589 UAAFNGOHOXJAQQ-UHFFFAOYSA-N 459.247 3.592 10 10 JHCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCC(OC)OC)cc1 2313682709 JANHTLBQKINKQR-UHFFFAOYSA-N 452.536 3.538 10 10 JHCE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)NC2=O)c2cc(Br)ccc21 2314952090 SHXLBSRUCSTYLK-UHFFFAOYSA-N 488.388 3.602 10 10 JHCE CCOc1cc(N2CCOCC2)c(OCC)cc1N=NN1CCN(C(=O)OC(C)(C)C)CC1 2330189140 LTGXNKYQEFRMKC-UHFFFAOYSA-N 463.579 3.872 10 10 JHCE CCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1OCC 1858590983 RTNXYBYWTXTMRF-XSFVSMFZSA-N 492.644 3.575 10 10 JHCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864012327 XTXVXXWWXGNSAG-QFIPXVFZSA-N 478.524 3.544 10 10 JHCE COC(=O)c1c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccccc1 1866242430 ZKNBQCPQGBYPIR-UHFFFAOYSA-N 463.515 3.920 10 10 JHCE CC(=O)Nc1ccc2[nH]cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(=O)c2c1 1866438803 NTBBOKXIHOVVQX-UHFFFAOYSA-N 451.438 3.514 10 10 JHCE CCOc1ccc(NC(=O)c2cc3c(N4CCN(c5ccc(OC)cc5)CC4)ncnc3n2C)cc1 1873650489 LYPBTAIRKOWROV-UHFFFAOYSA-N 486.576 3.955 10 10 JHCE CCS(=O)(=O)C1=NN2C(=N)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 2297346092 CIOHZXLOUDJFQL-UHFFFAOYSA-N 475.983 3.759 10 10 JHCE O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1 2297350425 NXHDHWGJMNFXSE-UHFFFAOYSA-N 455.732 3.639 10 10 JHCE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1C 2313548399 VDHPHQPGQAROCS-UHFFFAOYSA-N 484.350 3.569 10 10 JHCE CC(C)CC(=O)NN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314717355 HLUBXQCMAIHPLZ-UHFFFAOYSA-N 451.573 3.882 10 10 JHCE CCOc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1OC 2314761825 XWLSPHBKVXOIRQ-UHFFFAOYSA-N 460.371 3.922 10 10 JHCE CCOc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1 38619268 QEDDIKDZWNPGFU-XMMPIXPASA-N 485.606 3.529 10 10 JHCE Cc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)c(C)n1-c1cccc(F)c1 96460788 HDHSPHUZRAMFON-GDGGSUANSA-N 487.582 3.881 10 10 JHCE CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=N)N21 96460854 NSQXGJUUSOZMGY-VKGGKSIRSA-N 468.560 3.665 10 10 JHCE Cc1cc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc2c(c1)OCCO2 227798432 RWJBQDXUBAJVRE-CNNODRBYSA-N 453.583 3.579 10 10 JHCE CC[C@H](C)N1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S 261366778 NRKGDVNOZSTJOC-GSJCGABWSA-N 472.636 3.616 10 10 JHCE CC(=O)c1cccc(OCc2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)no2)c1 1546034227 RAHBEQMWQSNYKV-NRFANRHFSA-N 450.491 3.983 10 10 JHCE CC[C@@](C)(NC(=O)COc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862191908 SPCIMLVVBZUOMY-RUZDIDTESA-N 474.001 3.670 10 10 JHCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421384 UYBKZMFZBIVRDI-UHFFFAOYSA-N 471.605 3.914 10 10 JHCE CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1874018016 GSOISDDXJUUYOP-QFIPXVFZSA-N 476.554 3.856 10 10 JHCE COc1ccc([C@@H](n2nc(C3CC3)c(CN)c2I)C2(C)CC2)c(O)c1 2080023157 UOQFTVJYEABCLG-QGZVFWFLSA-N 453.324 3.928 10 10 JHCE CCOc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(I)c1O 2297307089 UGOHMJSIMSSSLH-UHFFFAOYSA-N 492.269 3.900 10 10 JHCE CC(C)CS(=O)(=O)C1=NN2C(=N)C(=Cc3ccc(OC(=O)c4ccccc4)cc3)C(=O)N=C2S1 2297346520 VDRYRZDYRZTJAK-UHFFFAOYSA-N 496.570 3.553 10 10 JHCE CCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O 2297461149 JNCBTRUMDCPSRE-UHFFFAOYSA-N 480.615 3.887 10 10 JHCE CC[C@H](C)[C@@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21)C(=O)O 2297718178 XQEGJZMFXXYINX-NLRIEGLYSA-N 488.588 3.794 10 10 JHCE COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)NC2=S)c(OC)c1 2313541525 MYIDOMQLXDPFAB-UHFFFAOYSA-N 479.470 3.703 10 10 JHCE Cc1ccc(CNC(=O)C(F)(F)CNC(=O)OCc2ccccc2)c(O)c1Br 2327582714 IPURWEBQIGZLMT-UHFFFAOYSA-N 457.271 3.641 10 10 JHCE CN(C)c1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1 33266612 ASHDRFIYSPGWML-UHFFFAOYSA-N 454.578 3.995 10 10 JHCE COc1ccc(N2CCN(c3nccnc3SCC(=O)Nc3ccccc3F)CC2)cc1 33292937 KXGODFKYIDUUHU-UHFFFAOYSA-N 453.543 3.682 10 10 JHCE COc1ccc(CCN2C(=O)/C(=C\c3ccc(N4CCOCC4)o3)SC2=S)cc1OC 33532100 YRZYFLFMWPUISU-XMHGGMMESA-N 460.577 3.577 10 10 JHCE Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1C 33560817 FBCQOMOOHSWYRL-QGOAFFKASA-N 450.451 3.555 10 10 JHCE CCOC(=O)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cccc(OC)c1O)N2 65298290 PXTYXZIFDBSSPD-LJQANCHMSA-N 467.522 3.602 10 10 JHCE biogenic O=c1n(CCCN2CCN(c3ccc(OCc4ccccc4)c(Cl)c3)CC2)nc2ccccn12 77301068 ADUPXHNRTCMOBF-UHFFFAOYSA-N 477.996 3.941 10 10 JHCE in-vitro CN1CCN(c2ccc(N3C(=O)C(O)=C(c4cccs4)[C@H]3c3ccc(O)c(O)c3)cc2)CC1 526389313 XAWJHAUPKBXJAY-HSZRJFAPSA-N 463.559 3.968 10 10 JHCE COc1ccc(Cl)cc1S(=O)(=O)NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1858609796 YBYHLMLAURLPOO-UHFFFAOYSA-N 486.958 3.799 10 10 JHCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013937 JONSPQZGTYUILU-HXUWFJFHSA-N 466.538 3.507 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865035474 UYQXZSWKHHMYPM-MRUHUIDDSA-N 468.598 3.712 10 10 JHCE CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868832054 SBOZXOBXUROVAG-SGNDLWITSA-N 453.558 3.572 10 10 JHCE Cc1ccc(CNc2nc3ccccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 2296703475 UKPDDICJMNGXBH-SFHVURJKSA-N 492.626 3.995 10 10 JHCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCC4)nc4ccccn4c3=O)SC2=S)cc1 2297455677 XWEKJOZYUDRDAT-UHFFFAOYSA-N 492.626 3.747 10 10 JHCE COc1ccc(CCN2C(=O)NC(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)cc1OC 2297472645 RWGWOWBKTSABHP-UHFFFAOYSA-N 498.333 3.652 10 10 JHCE CC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1 33171055 FGAIFYSNSKRNPH-ZROIWOOFSA-N 454.552 3.656 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCOC)C1=O 33511125 MYCZWNRJVWIRMC-GHRIWEEISA-N 460.625 3.843 10 10 JHCE COc1ccccc1OCC(=O)N(CCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C1CC1 96773906 UBYMNHKISNVLLF-UHFFFAOYSA-N 498.535 3.869 10 10 JHCE CCc1n[nH]c(=NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)s1 1860766402 XTYGKZQSZJZQMW-UHFFFAOYSA-N 458.565 3.540 10 10 JHCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864011999 OQXVLOODNGRLTJ-ZSEKCTLFSA-N 482.968 3.914 10 10 JHCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864012622 FMJYUMMAHDULNN-NRFANRHFSA-N 494.979 3.922 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864013071 PLDUOQJOHIHGSA-OAQYLSRUSA-N 480.540 3.655 10 10 JHCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCC(C)C)[C@@H]2c1ccc(O)c(O)c1 1864017133 GCEWCPOJJYOUPI-OAQYLSRUSA-N 492.576 3.847 10 10 JHCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865030164 DSMDYFWOLQBDOY-JOCHJYFZSA-N 491.592 3.974 10 10 JHCE CC[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867852683 PSCXFLPMLAFYDK-DNQXCXABSA-N 454.590 3.744 10 10 JHCE COCCn1cc(OCC2CCCCC2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870481563 MZMXXOIRKASUQQ-UHFFFAOYSA-N 469.626 3.785 10 10 JHCE COC(=O)Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872884481 UTHOBQRNGKEQKE-UHFFFAOYSA-N 473.573 3.985 10 10 JHCE COc1cc([C@H](OC)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(O)c1O 1952535070 MBZXEONNYSVOPC-VWNXMTODSA-N 479.485 3.786 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCC(C)CC3)nc12 2053493371 VMFCAZGDSABKKA-QGZVFWFLSA-N 484.647 3.619 10 10 JHCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NC(=O)c1cc(I)cc(I)c1O 2234171902 PRIYVRYTTOAZIH-UWVGGRQHSA-N 498.062 3.563 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1O 2294229425 SDJYCWXAAHGIOH-UHFFFAOYSA-N 461.337 3.693 10 10 JHCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1 2296660125 IHPFCJFZGQJUBT-UHFFFAOYSA-N 474.513 3.631 10 10 JHCE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 2297346003 VVAZHIKZFKLKIO-UHFFFAOYSA-N 499.618 3.893 10 10 JHCE CC[C@H](C)[C@H](NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21)C(=O)O 2297718177 XQEGJZMFXXYINX-CNBSGPCYSA-N 488.588 3.794 10 10 JHCE CSCC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(F)c(Br)c2)SC1=S 2323808749 USTBHAUJZGMUOI-NSHDSACASA-N 450.376 3.996 10 10 JHCE COc1ccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@H](C(=O)NCc4cccc(F)c4)[C@@H]3C2)cc1 35870899 CJNMPBRFZNTKOV-AHWVRZQESA-N 490.535 3.926 10 10 JHCE CCN(CC)c1ccc(CN(C[C@H](O)COc2ccc(C)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 40314892 ZUCJADRSVYGXME-RPBOFIJWSA-N 474.667 3.579 10 10 JHCE CCN(CC)c1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54310993 ORRMBGVGFYNZEF-QHCPKHFHSA-N 458.624 3.744 10 10 JHCE O=[N+]([O-])c1cc(Br)cc([C@H]2Nn3c(COc4ccccc4)nnc3S2)c1O 59168806 OTOMJKJMHQFWIM-HNNXBMFYSA-N 450.274 3.581 10 10 JHCE CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H](C)Cc1ccc(OC)cc1 731403572 OWERMGPXGNUALI-UGKGYDQZSA-N 452.599 3.560 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)/C=C/c3ccccc3Cl)CC2)cc1 1862146915 HOJKHCSKEZHJMP-IYJBSMEOSA-N 453.970 3.702 10 10 JHCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030410 JFMVKKINZWDSND-JOCHJYFZSA-N 492.551 3.751 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCOc4ccccc4)cc3)CC2)cc1 1872716267 SLTZRLSDYWBEKW-UHFFFAOYSA-N 468.575 3.664 10 10 JHCE CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(OCC(=O)NC(C)C)cc1 2294061234 NPOMCJXTYQWGBB-UHFFFAOYSA-N 478.545 3.866 10 10 JHCE CCCN1C(=O)C(=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21 2296711248 GMYDMYWPZJBITD-LBPRGKRZSA-N 467.410 3.956 10 10 JHCE CCC(NCCCN1CCOCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2297100759 DMCVTPAOJQUFDF-UHFFFAOYSA-N 467.517 3.537 10 10 JHCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 2314827277 AMYHDUGVHNSSNQ-UHFFFAOYSA-N 489.531 3.548 10 10 JHCE Cc1ccc(CN(C)[C@@]2(C(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)c(O)c1Br 2380767661 WXMUCEGQGSJYSU-VGSWGCGISA-N 477.355 3.807 10 10 JHCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)s3)CC2)cc1 8602681 DJLLGEMQEHJPTC-UHFFFAOYSA-N 473.498 3.941 10 10 JHCE CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)C2=O)cc1 15051013 SKYMAONUJSVPPG-LVSMMTLPSA-N 456.520 3.758 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(O[C@H](C)c4ccccc4)cc3)C(=N)N21 205729950 GEALBBXOXUXSCH-OAABYVPBSA-N 468.560 3.838 10 10 JHCE COc1ccc(N2CCN3c4ccccc4C[C@@H](C(=O)NCCc4ccccc4OC)[C@H]3C2)cc1 245280357 NZBGJEUKRSYGNW-XNMGPUDCSA-N 471.601 3.930 10 10 JHCE COc1cccc(C(=O)N2CCN(Cc3ccc(C(=O)Nc4cccc(N(C)C)c4)cc3)CC2)c1 1860903851 FFTABQVSYFQLOS-UHFFFAOYSA-N 472.589 3.972 10 10 JHCE CCc1nn([C@H](c2ccc(OC)cc2O)C2CCC2)c(I)c1C(=O)O 2079978276 YHWUTMPWBMFYFP-INIZCTEOSA-N 456.280 3.852 10 10 JHCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(OC)c(OC)c(OC)c1 2313682757 KBXDIWCJHURRMH-UHFFFAOYSA-N 457.458 3.503 10 10 JHCE C[C@@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314837675 VQJMQVIQHHNBAD-KGLIPLIRSA-N 456.545 3.658 10 10 JHCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)C1(NC(=O)OC(C)(C)C)CCOCC1 2366999845 JODKKVMWKHQSJL-FQEVSTJZSA-N 478.634 3.549 10 10 JHCE CCC[C@@H](NC(=O)CCc1ccc(C)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861941030 XVRPAGBHQRLDKM-RUZDIDTESA-N 451.611 3.878 10 10 JHCE CC[C@@](C)(NC(=O)c1cccc(OCC(C)C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862255479 FFSTYOYDTIFZSH-HHHXNRCGSA-N 467.610 3.977 10 10 JHCE CCCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1-c1cc(OC)ccc1OC 1862351741 FFBIINHOHAOFBX-UHFFFAOYSA-N 464.566 3.948 10 10 JHCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018699 AJOLSNRVDHHYNP-ZHRRBRCNSA-N 476.577 3.823 10 10 JHCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027843 MGXVINYCOKQTRU-WAIKUNEKSA-N 474.561 3.853 10 10 JHCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC1)[C@@H]2c1ccc(O)c(O)c1 1865031427 GRJOUIQTSRCJRF-HXUWFJFHSA-N 460.534 3.688 10 10 JHCE CCOC(=O)c1c(NC(=O)c2cnc3[nH]ncn3c2=O)sc(C)c1-c1ccc(Cl)cc1 1866224958 MVDJVKOFPYFTKB-UHFFFAOYSA-N 457.899 3.537 10 10 JHCE Cc1cc(C(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)n[nH]1 1866828693 KOCXMVREECWMFT-HSZRJFAPSA-N 464.481 3.603 10 10 JHCE CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867347265 YXZOOEHSKKMOOM-BJKOFHAPSA-N 454.590 3.744 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970494 LHHCAANCYVIQNP-UHFFFAOYSA-N 489.967 3.903 10 10 JHCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O 2294133713 CAHOJNAGXQWRRS-UHFFFAOYSA-N 465.687 3.873 10 10 JHCE CCOc1cc(Br)c(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 2294199226 GTIAYSGDORMPDZ-UHFFFAOYSA-N 479.327 3.827 10 10 JHCE CC1=NN(c2ccc(C)cc2C)C(=O)C1=Cc1c(O)nc(O)n(-c2cccc(Cl)c2)c1=O 2297109884 SHHVCQWTSVQGGI-UHFFFAOYSA-N 450.882 3.720 10 10 JHCE C[C@@H](C(=O)Nc1ccc(C(=O)O)c(O)c1)N1C(=O)C(=Cc2ccccc2Cl)SC1=S 2297500817 JTRUJOMLIVIEGJ-JTQLQIEISA-N 462.936 3.972 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1O 2313559797 UGCUKUXHTBBWMQ-UHFFFAOYSA-N 496.111 3.592 10 10 JHCE COc1cc(C=C2SC(=S)N([C@H](Cc3cnc[nH]3)C(=O)O)C2=O)ccc1OCc1ccccc1 2323718741 WYPQOUIVGJASHT-GOSISDBHSA-N 495.582 3.894 10 10 JHCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc5c(c4)OCCO5)n3)cc21 11857709 YFAPNWGAFGLSGY-UHFFFAOYSA-N 487.559 3.518 10 10 JHCE O=C1/C(=C\c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 12759407 MEIAFJROIQDTIS-KNTRCKAVSA-N 494.667 3.692 10 10 JHCE COC(=O)c1cnn2c(O)cc(CSc3nnc4c5ccccc5nc(-c5ccccc5)n34)nc12 21726932 VPMKYUVBNJZOME-UHFFFAOYSA-N 483.513 3.772 10 10 JHCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccccc1C(=O)OC 205948901 VWAWYWGMMJNVMT-DEDYPNTBSA-N 464.503 3.735 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 210747416 YXGWRYYPLMIRGY-XDJHFCHBSA-N 489.644 3.734 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H]2CCCO2)sc(C)c1-c1ccc(Cl)cc1 1860758405 GCTWLSXXQOVHSO-HNNXBMFYSA-N 450.944 3.787 10 10 JHCE CCCC[C@@H](NC(=O)/C=C/c1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861953409 RCJUKBSFVZVPHU-CSVHPWFYSA-N 453.558 3.871 10 10 JHCE CCc1nn(CC)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865025869 FECMLGZNIDLGBC-QHCPKHFHSA-N 487.604 3.517 10 10 JHCE Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865027178 VRWZPCGATJHWEF-DEOSSOPVSA-N 495.539 3.661 10 10 JHCE C[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867801419 ABHPBKROEHHRSV-HRAATJIYSA-N 476.543 3.632 10 10 JHCE CC[C@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868861114 ZUPOYCNGIKOQLO-JYFHCDHNSA-N 497.636 3.696 10 10 JHCE CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(F)cc2)C1=O 2040498555 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CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 703983142 WVFBAXKFOFINMZ-UHFFFAOYSA-N 457.335 3.763 10 10 JHCE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(N)c2c1CCN(C(=O)OC(C)(C)C)C2 711800992 HQQFJKSVHZBYNF-HHHXNRCGSA-N 466.626 3.635 10 10 JHCE COc1ccc(N2CCN(C(=O)c3nc(C(=O)N[C@@H](C)c4ccccc4)n4ccccc34)CC2)cc1 1858223759 DOFAKVYACSXWKE-FQEVSTJZSA-N 483.572 3.796 10 10 JHCE COc1ccc(N2CCN(C(=O)CCc3c(C)nc4c5c(F)cccc5nn4c3C)CC2)cc1 1860338265 ACVLUZISHJPJDP-UHFFFAOYSA-N 461.541 3.928 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(OC)cc3OC)c3ccccc3)CC2)cc1 1861932503 LVKAZGOWBVMPSK-AREMUKBSSA-N 489.572 3.532 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 1861946928 UEBVWXWEWQLRBC-LHRVCSDGSA-N 488.053 3.949 10 10 JHCE Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864014819 CZXOCIHGUJQGOC-MRXNPFEDSA-N 478.471 3.551 10 10 JHCE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865025895 FBPFDNKEBABHIM-OAQYLSRUSA-N 480.952 3.621 10 10 JHCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865033349 XVFCAFDQOAJZBD-ZHRRBRCNSA-N 474.561 3.942 10 10 JHCE CCOC(=O)CN(Cc1ccccc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C)n1 1867989823 XTNSGFLWLHFSPW-UHFFFAOYSA-N 475.593 3.690 10 10 JHCE CCn1c(C(=O)N2CCC[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873546303 KFUQVCNJZVOIHJ-IBGZPJMESA-N 462.598 3.659 10 10 JHCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(C(C)C)cc4)n(C)n3)CC2)cc1 2331398775 KJGNIXRQPDAVDX-UHFFFAOYSA-N 460.582 3.926 10 10 JHCE COCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3Cl)c3ccccc32)SC1=S 2533425 FRRZCTMVQSEXQN-VHEBQXMUSA-N 487.990 3.543 10 10 JHCE COc1ccc(/C=C2/SC(=S)N(Nc3ccc([N+](=O)[O-])cc3)C2=O)c(C(=O)O)c1OC 16906211 HIWUFFIIGCMVHT-NTEUORMPSA-N 461.477 3.539 10 10 JHCE CCCN1CCN(c2ncnc3sc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)c(C)c23)CC1 33048392 YBYNXMLWTFQDGD-UHFFFAOYSA-N 494.665 3.503 10 10 JHCE COc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 33424424 WNHDGZPNFBXZAI-JWGURIENSA-N 475.457 3.523 10 10 JHCE COc1ccc(N2CCN([C@H](CNC(=O)C(=O)Nc3cccc(SC)c3)c3ccco3)CC2)cc1 38619740 ANCMPPBQIOVWBC-HSZRJFAPSA-N 494.617 3.628 10 10 JHCE Cc1nn2c(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c(-c3ccccc3)nc2s1 102470477 PWNIQFQVHFVVQS-HTYYESGYSA-N 470.543 3.829 10 10 JHCE O=C(CCCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 103040706 FILFIKISDKLIBH-LICLKQGHSA-N 460.508 3.850 10 10 JHCE O=C(CN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc(C(=O)O)c(O)c1 210496213 BCNQALMGDKGJLW-VIZOYTHASA-N 480.470 3.532 10 10 JHCE Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)NCCCN1CCCS1(=O)=O 725877093 PLPSVDFAIFIIDH-FQEVSTJZSA-N 498.571 3.907 10 10 JHCE COc1ccc(N2CCN(CCNC(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C)CC2)cc1 742919794 DNDRLGIALPEXBZ-UHFFFAOYSA-N 487.526 3.760 10 10 JHCE CC(=O)N1CCc2ccc(S(=O)(=O)NCc3cc(C)n(-c4ccccc4)c3C)cc2CC1 1213351925 PTAJVQJBRNIEPX-UHFFFAOYSA-N 451.592 3.520 10 10 JHCE CC[C@@H](NC(=O)c1ccc2nc(C(C)C)[nH]c2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862101385 LJJLSUYBPRSYNM-OAQYLSRUSA-N 463.582 3.552 10 10 JHCE Nc1ccc(NC(=O)c2c[nH]c3c(I)cc(Br)cc3c2=O)cc1 1866447928 ZSNZUELQNTUZOM-UHFFFAOYSA-N 484.091 3.730 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)/C=C(/c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868665596 XPWDRLQKFNPPDF-AFDYPQSWSA-N 461.606 3.959 10 10 JHCE CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)N[C@H](C)c3ccccc3)cc1C2=O 1873876555 JQHJFPHPSGHWNQ-CQSZACIVSA-N 471.465 3.804 10 10 JHCE Cc1cc(C=CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(C)n1-c1ccc2c(c1)OCO2 2042450194 JOQMNHBLESIBCH-UHFFFAOYSA-N 486.572 3.619 10 10 JHCE COc1ccc([C@@H](C(C)C)n2nc(C(C)C)c(C(N)=O)c2I)c(O)c1 2079998198 NRAZWEIUXMJFRD-MRXNPFEDSA-N 457.312 3.670 10 10 JHCE COc1ccc([C@@H](C2CCC2)n2nc(C(C)C)c(C(N)=O)c2I)c(O)c1 2079999127 VERCJGUGFPYCDF-QGZVFWFLSA-N 469.323 3.814 10 10 JHCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2C)cc1 2294095326 PUHRARVYYYWISI-UHFFFAOYSA-N 473.485 3.556 10 10 JHCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(NC(=O)c2ccccc2Cl)C1=O 2296740078 AESINOAUHRCWME-UHFFFAOYSA-N 494.779 3.971 10 10 JHCE O=C(O)CCCNC(=O)CCCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 15044932 GDOSWXBZXDNQSN-AQTBWJFISA-N 459.593 3.911 10 10 JHCE COc1ccc(CC(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)CC2)cc1 62694594 JAABHZKFLYLSCP-UHFFFAOYSA-N 463.553 3.811 10 10 JHCE CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 210698096 ZXMNFVAFBHKVKU-CPNJWEJPSA-N 486.571 3.808 10 10 JHCE COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)c1O 248105406 LFHHOZWEBSOEBY-DHMIZTNRSA-N 492.572 3.953 10 10 JHCE COc1ccc(-c2csc(N3N=C(C)[C@H](N=Nc4ccc(S(=O)(=O)O)cc4)C3=O)n2)cc1 575733423 XIRKDQJUSOVWBL-SFHVURJKSA-N 471.520 3.940 10 10 JHCE C#CCSCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C(=O)OC)C1 1705654099 XNZCTLIGKLHEGB-HXUWFJFHSA-N 463.607 3.718 10 10 JHCE C[C@H](NC(=O)Cc1ccc(Br)s1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1858768452 JJCPGQHHHZAZJT-LBPRGKRZSA-N 497.370 3.972 10 10 JHCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864006912 ALTGODZAZHSYHB-JOCHJYFZSA-N 462.550 3.983 10 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461.562 3.835 10 10 JHCE COc1ccc(NC(=O)[C@H](C)Oc2cccnc2NC(=O)Oc2ccc(N)cc2)cc1OC 1858684187 GXFCYLVWNHDGRO-AWEZNQCLSA-N 452.467 3.698 10 10 JHCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3CC)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011126 ZQHUTYXRVZTIOG-PEBXRYMYSA-N 462.550 3.757 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864014094 NHHIXKXBOFSQFZ-IIMJZQEZSA-N 454.571 3.656 10 10 JHCE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864016366 NHGBBRFAWAPGNQ-FQEVSTJZSA-N 462.550 3.982 10 10 JHCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865035456 UIPWFAQZRDCQOD-NRFANRHFSA-N 494.979 3.875 10 10 JHCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCC(C)C)[nH]1 1871560558 WHLBTWNBRCUHTF-UHFFFAOYSA-N 475.641 3.815 10 10 JHCE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)n2)cc1 1890828341 RSDIQBXZCMZEMX-LEDOBFOHSA-N 458.562 3.785 10 10 JHCE CCCc1nn2c(=O)cc(COc3ccc(C=C4C(=N)N5C(C)=CSC5=NC4=O)cc3)nc2s1 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COc1cc(Cl)cc(CNC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1O 389260575 GLUITNPZMGETPS-UHFFFAOYSA-N 459.971 3.562 10 10 JHCE CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(N3CCOCC3)cc2)C1 1749823458 VZOZKANMUFZEEE-QHCPKHFHSA-N 482.673 3.598 10 10 JHCE COc1ccc(N2CCN(C(=O)c3ccc([C@H]4CN(C(=O)OC(C)(C)C)CCO4)cc3)CC2)cc1 1858152427 TVOBESPJTGOWTO-XMMPIXPASA-N 481.593 3.966 10 10 JHCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Cc4cccs4)CC3)ccc21 1860588281 NWDILUUFFPTFJS-UHFFFAOYSA-N 458.539 3.943 10 10 JHCE CCOc1cc(/C=C2/C(=O)N(CC)N=C2c2ccc(OC)cc2)ccc1OCC(=O)N(CC)CC 1865677468 KLCLWRHBJKQYOL-CJLVFECKSA-N 479.577 3.991 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@@H](N)CCC(=O)O)sc(C)c1-c1ccc(Br)cc1 1866020918 VTKOXVOKPOLIQD-ZDUSSCGKSA-N 469.357 3.793 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3sc(C)nc3C)c3ccccc3)CC2)cc1 1868582644 PEQHBVIRKGMBCZ-VWLOTQADSA-N 478.618 3.517 10 10 JHCE CC[C@](C)(NC(=O)CCCc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868953082 XZJDLMAWPUQLQK-MHZLTWQESA-N 451.611 3.960 10 10 JHCE CCOC(=O)CCOc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870878513 SKWGGADHGJERMA-IBGZPJMESA-N 465.550 3.917 10 10 JHCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCCO)ncnc4n3CC(C)C)CC2)cc1 1875209154 CTUCNGSHMGOTPF-UHFFFAOYSA-N 494.640 3.633 10 10 JHCE Cc1ccc(CN2C(=O)C(=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 2296710645 JGFAWPHZNUJCIY-UHFFFAOYSA-N 452.557 3.978 10 10 JHCE CCOc1ccc(NC(=O)CN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1 2296881728 XWRNNGCAZATDOL-UHFFFAOYSA-N 488.587 3.951 10 10 JHCE CCCOCCOC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945407 MBOKREVCIFYBQN-UHFFFAOYSA-N 490.603 3.677 10 10 JHCE COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 1129158 YRZZKOZJIPHKIV-OCTXWABXSA-N 459.480 3.609 10 10 JHCE CCCCCN1C(=O)/C(=C\c2c(N3CCN(CC)CC3)nc3ccc(C)cn3c2=O)SC1=S 97437059 CIVRJVSSLSPFKV-XDJHFCHBSA-N 485.679 3.536 10 10 JHCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nccs1 110571151 BMLFTMTYFIYZAO-LDADJPATSA-N 463.475 3.875 10 10 JHCE COc1ccc(OC)c(S(=O)(=O)N(CCF)c2cccc3c2C(=O)c2ccccc2C3=O)c1 586249730 OJEWMKPLSDAYSU-UHFFFAOYSA-N 469.490 3.644 10 10 JHCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864010156 IZKUOUKTPZCZPF-NRFANRHFSA-N 462.550 3.765 10 10 JHCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864011648 XAMGYJOCGQRMDV-HSZRJFAPSA-N 468.513 3.718 10 10 JHCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864013886 IBOOYNBCSORHQG-OYHNWAKOSA-N 492.576 3.847 10 10 JHCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864018187 FDLQBTIVOJNMPH-SZNDQCEHSA-N 480.540 3.653 10 10 JHCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CC)[C@@H]1c1ccc(O)c(O)c1 1864022026 JBETZEANXQUTFP-HNNXBMFYSA-N 468.476 3.724 10 10 JHCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1865031610 KTUYOQKNURQXBG-FQEVSTJZSA-N 460.534 3.596 10 10 JHCE CN(C)c1ccc([C@@H](NC(=O)C[C@H](CNC(=O)C(F)(F)F)c2ccccc2)c2nccn2C)cc1 1865983852 WCYDOEYFLHYKNB-DENIHFKCSA-N 487.526 3.544 10 10 JHCE CN(C)c1ccc([C@H](NC(=O)c2c[nH]c3c(Br)cccc3c2=O)c2nccn2C)cc1 1866457106 IUQYKAAWGNDYQF-IBGZPJMESA-N 480.366 3.610 10 10 JHCE COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NCCc1c[nH]c2ccc(OC)cc12 2313682602 HAGZGGZOQZMWPE-UHFFFAOYSA-N 464.497 3.688 10 10 JHCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C(C)=Cc3cccc(Cl)c3)CC2)cc1 2330135827 GKWDHGKZJRYVOK-UHFFFAOYSA-N 455.986 3.996 10 10 JHCE Nc1ccc(OCC[S@@](=O)c2cc(I)ccc2Br)cc1 2363733677 VLHPSBQVYQOLCT-HXUWFJFHSA-N 466.138 3.823 10 10 JHCE COc1ccc(N(C(C)=O)c2nc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)cs2)cc1 13264740 WCZVBWRRVASSJS-DHDCSXOGSA-N 463.562 3.512 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccc(I)cc3)N=C2C)cc([N+](=O)[O-])c1O 16156269 FXJPQLPPDLOSQC-AUWJEWJLSA-N 479.230 3.720 10 10 JHCE O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1ccc(O)c(C(=O)O)c1 16922546 OSZFTYQDZCWIOZ-CHHVJCJISA-N 480.470 3.532 10 10 JHCE COC(=O)C1=C(C)N(CCc2c[nH]c3ccc(OC)cc23)C(=O)/C1=C/c1ccc2c(c1)OCO2 33337134 YOENIFUMLSXXKE-KEBDBYFISA-N 460.486 3.821 10 10 JHCE O=C1N=C(N2CCOCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 33340199 YFJHUTKFQWCPGO-XSFVSMFZSA-N 461.503 3.750 10 10 JHCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 33482262 AMVOYPKBSPKLFW-FOWTUZBSSA-N 474.608 3.671 10 10 JHCE O=C(C1=CN(c2cc(Cl)cc(Cl)c2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 65096346 MDDUKDGLYAVIMP-UHFFFAOYSA-N 457.310 3.758 10 10 JHCE COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 89259532 ICDOEEKILAQMMK-IXXVHFPFSA-N 468.407 3.553 10 10 JHCE COc1ccc(N2CCCN(C(=O)C3CCN(C(=O)N(C)Cc4ccccc4)CC3)CC2)cc1 727306566 AGARJJWINKLMOI-UHFFFAOYSA-N 464.610 3.698 10 10 JHCE O=C(O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 1084424392 VGDHPHXUDUZKGA-WZUFQYTHSA-N 485.732 3.942 10 10 JHCE CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCSc2nccs2)[C@@H](C)C1 1749850965 CHILALVNWHBRPP-HNNXBMFYSA-N 460.604 3.780 10 10 JHCE COc1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(OC)c(C)c4)cn3)CC2)cc1 1858429506 SDMMHGVWVDGFGZ-UHFFFAOYSA-N 468.579 3.535 10 10 JHCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)COC)C2)sc(C)c1-c1ccc(F)cc1 1860655254 MATSCBSLSKNPOJ-MRXNPFEDSA-N 462.543 3.863 10 10 JHCE CC[C@H](NC(=O)c1cc(-c2cccnc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867164573 ROBZMBLDYQKPLN-IBGZPJMESA-N 480.480 3.659 10 10 JHCE CCN(CC)CCCn1cc(OCC(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870436707 HHTGKUQJIXXUMH-UHFFFAOYSA-N 484.685 3.946 10 10 JHCE COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CCc3ccc(F)cc3)CC2)cc1 1870554786 UFKYZQIAYYYGFW-UHFFFAOYSA-N 451.542 3.570 10 10 JHCE CN1CCC(CNC(=O)OC(C)(C)C)(NCc2cc(Cl)cc(Br)c2O)CC1 2187397999 FAVVWTYXVZAJKK-UHFFFAOYSA-N 462.816 3.887 10 10 JHCE COc1ccc(C)cc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)c1C 2297345853 IPVTVLNZKFSCEJ-UHFFFAOYSA-N 499.618 3.811 10 10 JHCE O=C(O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl 2313565149 VGDHPHXUDUZKGA-UHFFFAOYSA-N 485.732 3.942 10 10 JHCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(Sc3ccccc3)nc12 2314400681 QFNASYWQWCPALD-UHFFFAOYSA-N 483.596 3.830 10 10 JHCE CCCCCN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 2314414812 NHPMQKFUEVECCP-HNNXBMFYSA-N 458.609 3.677 10 10 JHCE O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 1802015 KLTFJVAILHPIBO-AISSWFOISA-N 482.333 3.838 10 10 JHCE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 40066458 WDFUXUUYFYLGEY-UKWGHVSLSA-N 496.614 3.999 10 10 JHCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864008573 NFNRPADFAHJWEI-MPBGBICISA-N 468.941 3.855 10 10 JHCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864013182 RUOIQDLVAGWXNV-NRFANRHFSA-N 480.540 3.653 10 10 JHCE CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 2201008606 VQKWWIXYGMRKQG-QUCCMNQESA-N 473.570 3.897 10 10 JHCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1 2296936178 DWZCSLLHSBADOY-UHFFFAOYSA-N 476.485 3.934 10 10 JHCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc(Br)c1O 2297104924 QXZVRGDHGGBFJY-UHFFFAOYSA-N 467.275 3.983 10 10 JHCE COc1cc(C=C2NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 2297346455 HHENYUDOTFRSCE-UHFFFAOYSA-N 451.317 3.863 10 10 JHCE CCN(CC)C(=O)COc1ccc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1 2314754355 QGUUNCSXNLLFBZ-UHFFFAOYSA-N 464.609 3.780 10 10 JHCE COc1ccc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1OC 2314833733 VBCFQAOAMIYLFW-INIZCTEOSA-N 468.556 3.546 10 10 JHCE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cc(Cl)ccc2O)SC1=S 2314836268 CESXNWBXOOENBQ-JTQLQIEISA-N 462.936 3.972 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330073439 BPXQHGLHANAZIJ-MUUNZHRXSA-N 499.611 3.880 10 10 JHCE CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 6237742 PPOVSVDUVDDZOP-MBXGISOLSA-N 494.620 3.940 10 10 JHCE CN(C)c1ccc(CNC(=O)c2ccc(-n3nc(OCc4cccc(F)c4)ccc3=O)cc2)cc1 35481331 IMHZNDXWVNXWDG-UHFFFAOYSA-N 472.520 3.947 10 10 JHCE CCOC(=O)c1c(C)sc(-c2c(-c3ccc(C)c(C)c3)[nH]c3c2c(=O)[nH]c(=O)n3C)c1O 86076729 YNKXCVQUVBMMFR-UHFFFAOYSA-N 453.520 3.758 10 10 JHCE in-vitro COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 103476410 JPCKPSBXDYZWCE-UNOMPAQXSA-N 498.944 3.886 10 10 JHCE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3)n2CCCSc2nccs2)C1 1508188718 UEKHPZBLONUPMV-GOSISDBHSA-N 456.641 3.889 10 10 JHCE CCCC[C@@H](NC(=O)COc1cccc(C)c1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862192613 JKDNGORGGPEXNU-XMMPIXPASA-N 467.610 3.715 10 10 JHCE Cc1nn(C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864009008 XGYPJCJPURWDGV-HSZRJFAPSA-N 482.540 3.740 10 10 JHCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865031101 ZBFFDFNCLWZQGH-QFIPXVFZSA-N 474.561 3.941 10 10 JHCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3nc(C(C)(C)C)n4ccccc34)C(C)C)CC2)cc1 1868791634 QJEDNHPWVJCNGX-QHCPKHFHSA-N 491.636 3.744 10 10 JHCE CCCCCCn1cc(OCCCO)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870362226 OCRZWANJXCUQBX-UHFFFAOYSA-N 457.615 3.521 10 10 JHCE COCCNC(=O)Cn1cc(C=C2C(=O)N(C)c3ccccc32)c2cc(Br)ccc21 2297319004 NYXVCGCYLPYDFT-UHFFFAOYSA-N 468.351 3.683 10 10 JHCE Cc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 2297346232 OKRUBMIXHNAKJI-UHFFFAOYSA-N 469.592 3.839 10 10 JHCE Cc1ccc(-c2nc(C=C3SC(=S)N(CCC(=O)O)C3=O)n(-c3ccccc3)n2)cc1 2297456269 ZPZPBRMYBBFIPG-UHFFFAOYSA-N 450.545 3.919 10 10 JHCE CCCCCCN1C(=O)C(=Cc2c(N3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2314414753 LJPVUYIESSLRAP-UHFFFAOYSA-N 472.636 3.621 10 10 JHCE CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)ccc21 1858074691 RCAQUSKGJMHSLE-AREMUKBSSA-N 484.666 3.557 10 10 JHCE CCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861915172 DAYZTZCBUAGPJD-OAQYLSRUSA-N 474.399 3.705 10 10 JHCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864022900 ZUKPALRVXVEPTA-NRFANRHFSA-N 480.540 3.663 10 10 JHCE C[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866835111 YXTMFHPZDXVXIK-HNNXBMFYSA-N 465.465 3.874 10 10 JHCE CC(=O)NCCN1C(=O)C(Nc2ccc(F)c(F)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422176 JVWQHEIESMMISN-UHFFFAOYSA-N 478.499 3.700 10 10 JHCE COc1cc(C=C2SC(=S)N(CC(=O)N3CCCc4ccccc43)C2=O)cc(OC)c1OC 2296881560 OIODOQQDJGFPAD-UHFFFAOYSA-N 484.599 3.893 10 10 JHCE CCOc1ccccc1-n1c(C)cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)c1C 2297345493 BRFOJNZPIURWPQ-UHFFFAOYSA-N 485.591 3.504 10 10 JHCE O=C(O)CCNC(=O)CCN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1=S 2314827464 FOXNAUILHCNZCG-UHFFFAOYSA-N 456.545 3.661 10 10 JHCE COc1cc(/C=C2/NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1 6574753 HHENYUDOTFRSCE-OVCLIPMQSA-N 451.317 3.863 10 10 JHCE O=C(O)CNC(=O)CCCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 15040239 WLEQELHPLHNXHP-AQTBWJFISA-N 456.545 3.661 10 10 JHCE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 15044518 XIAYAOHPCVHAIZ-LGMDPLHJSA-N 495.673 3.796 10 10 JHCE CCCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCOC)C2=O)c(C)c(C#N)c1=O 39990423 BMCAKHOXVPXYAU-FPXKJXHESA-N 488.679 3.912 10 10 JHCE CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4C)c(OC)c3)C(=N)N21 96460409 PHRHCIPSTXUVAT-PUYZJMEQSA-N 498.586 3.594 10 10 JHCE CCc1cc(Cc2ccc(N(C[C@H]3CO3)C[C@@H]3CO3)c(CC)c2)ccc1N(C[C@H]1CO1)C[C@@H]1CO1 255994816 PMPLQTWAQNSOSY-IAFDGEETSA-N 478.633 3.610 10 10 JHCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OC)[C@H]1c1ccc(O)c(O)c1 526480971 PUCWOIGKIKFNAG-JOCHJYFZSA-N 477.469 3.959 10 10 JHCE CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cn1C 727245614 BSHLVPVSDSHYEN-UHFFFAOYSA-N 480.571 3.540 10 10 JHCE CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Nc4nccs4)cc3F)cc2)CC1 1296401363 ZHPVCFZDQFBDEB-UHFFFAOYSA-N 453.543 3.624 10 10 JHCE COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4c(F)cccc4Cl)CC3)CC2)cc1 1858092972 KCAUJBXVDNXMQE-UHFFFAOYSA-N 459.949 3.689 10 10 JHCE Cc1sc(NS(=O)(=O)c2ccc(C(=O)O)cc2)nc1-c1ccc2c(c1)C(C)(C)C(=O)N2 1859570326 COCWSTZBXOBACU-UHFFFAOYSA-N 457.533 3.847 10 10 JHCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)sc(C)c1-c1ccc(F)cc1 1860746337 LLHCNVFDUYIRPX-UHFFFAOYSA-N 469.494 3.715 10 10 JHCE COc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421405 VVXQPDSMCIHSMQ-UHFFFAOYSA-N 458.562 3.856 10 10 JHCE Cc1c(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c(=O)n(-c2ccccc2)n1C 1874005175 LPNYDDWBEOKMOV-UHFFFAOYSA-N 476.492 3.765 10 10 JHCE COC(=O)c1c(C2CC2)nn([C@@H](c2ccc(OC)cc2O)C2CC2)c1I 2080005880 IXPUECOXQGRCQB-QGZVFWFLSA-N 468.291 3.865 10 10 JHCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCCOc1ccccc1C 2293131260 VRBBKZNKSGBIKV-UHFFFAOYSA-N 474.513 3.931 10 10 JHCE C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)C[C@@H](C)O1 2314399940 FFPKOLNBYKHXLA-IAGOWNOFSA-N 492.626 3.710 10 10 JHCE Cc1ccccc1C(=O)NN1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314769277 WYGGQYBOAZXPBM-UHFFFAOYSA-N 495.626 3.933 10 10 JHCE C[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c1)C(=O)O 2314931770 QNKRVPVURPDVNN-LLVKDONJSA-N 462.936 3.738 10 10 JHCE O=C(CN1C(=O)/C(=C2/SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccccc1 2533851 WRFKFYBPRZDHDS-QURGRASLSA-N 489.578 3.714 10 10 JHCE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(I)c1O 34138231 HYIDQYJOTAAFIU-SDQBBNPISA-N 482.205 3.651 10 10 JHCE COC(=O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OC 59135229 KRJDOMDLSBJNSQ-AUWJEWJLSA-N 462.817 3.546 10 10 JHCE COC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(N3CCN(c4ccc(OC)cc4)CC3)nc2c1 65306588 ZFZTUTJZQGUCLT-UHFFFAOYSA-N 498.583 3.761 10 10 JHCE N=C1/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 102446286 IGIYPXIRHADJTL-PZNVHLGOSA-N 453.505 3.984 10 10 JHCE COc1cc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 210720085 YUJQSAVPAPUTIL-LDADJPATSA-N 472.544 3.719 10 10 JHCE O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1865766775 BRUJWKNILZOQRA-UHFFFAOYSA-N 480.274 3.591 10 10 JHCE CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3sc4c(c3C(=O)OC)CCCC4)CC2=O)cc1 1873427464 SXLZCZMQCVVXIK-OAHLLOKOSA-N 470.547 3.582 10 10 JHCE C[C@H](NC1CN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C1)c1ccc(O)cc1O 2259378671 AVAQQMNPYAPNQV-HNNXBMFYSA-N 451.564 3.605 10 10 JHCE NC(=O)CC[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2314541622 PDTOAXKUVPUHEU-KRWDZBQOSA-N 490.990 3.839 10 10 JHCE O=C1Nc2ccc(Br)cc2C1=C1SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 2314717523 RYNCIESQFUGRDI-UHFFFAOYSA-N 494.779 3.971 10 10 JHCE O=C(CCN1C(=O)C(=Cc2cccs2)SC1=S)NCCc1nnc(-c2ccccc2)o1 2314913678 SKBVTBSQALHFRY-UHFFFAOYSA-N 470.601 3.748 10 10 JHCE