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461.563 0.984 10 20 JCCD CCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1833425234 ZIQAFSPWIOGZNI-AWEZNQCLSA-N 483.660 0.333 10 20 JCCD Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1836305052 YWVWIMWKQWGNBZ-IBGZPJMESA-N 451.867 0.562 10 20 JCCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1837056719 AMLBVQYDJFQWOV-QFIPXVFZSA-N 471.445 0.892 10 20 JCCD O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)CCN1 1839433531 VQUZPQFZYOSHFR-ZSEKCTLFSA-N 467.906 0.347 10 20 JCCD NC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 918463047 HIAMFLIROWDRKJ-MRXNPFEDSA-N 453.499 0.507 10 20 JCCD CS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cn1 918464543 AZLPVRPJIFWMLW-OAHLLOKOSA-N 459.528 0.442 10 20 JCCD C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782008729 JJQFCKMVABIFCL-UXHICEINSA-N 456.879 0.811 10 20 JCCD CN1CCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)/C=C/c5ccc(O)c(O)c5O)CCO4)C3)cc2C1 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10 20 JCCD O=C(c1cc(O)nc(O)c1)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778875961 WDLMEZIHNMHWTF-VXKWHMMOSA-N 454.439 0.671 10 20 JCCD C[C@]1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)CSC2=S)C3)CCCN1 1780674843 CRFVLKCIPSECDU-JSNMRZPZSA-N 454.618 0.503 10 20 JCCD C[C@@H](Cn1ccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1782550929 IPYGCQFPBYXWJL-GCKMJXCFSA-N 479.628 0.893 10 20 JCCD N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1)c1ccccn1 1785508283 DLWRULSGKMJSNT-DBUITHOJSA-N 454.483 0.742 10 20 JCCD CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)nn1 1785545290 NGAWFPBJTPOLEL-LJQANCHMSA-N 466.589 0.337 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1785546189 BOQOAMLAPXXTOR-HXUWFJFHSA-N 459.553 0.638 10 20 JCCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21)c1cc(O)nc(O)c1 1787294924 DAYUVEZQGXBJDZ-ZZWDXFOASA-N 478.505 0.996 10 20 JCCD 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AUEQTVQKIXWGMO-JUZYGNAHSA-N 463.585 0.797 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1785510248 IUJSVDYZSNGKMK-KXTAVISMSA-N 466.512 0.224 10 20 JCCD Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)nc2ccccn12 1785541068 TUKDDJITVLIYDW-NRFANRHFSA-N 473.580 0.947 10 20 JCCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1nnc(-c2ccccc2)o1 1797822115 GLKVYFMUBDUIMF-XOIINTDNSA-N 487.563 0.800 10 20 JCCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)C1=C2c3ccccc3C(=O)N2CC1 1798449704 KXXSKBCWBSMMPF-USGNIVHTSA-N 476.489 0.967 10 20 JCCD N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1814188826 BFOOYYPCLGLEBK-LVCYWYKZSA-N 498.634 0.913 10 20 JCCD NC(=O)[C@H](N)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362213 ICQOXQNSBUDWRS-TZMCWYRMSA-N 483.554 0.441 10 20 JCCD NC(=O)CC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362217 IDYRIJCCEICNLD-OCCSQVGLSA-N 483.554 0.441 10 20 JCCD Cc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)n1 1830923463 AJVHZUCMUMXXFX-NRFANRHFSA-N 478.596 0.249 10 20 JCCD O=C1NC(=O)[C@@H](CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)CC2)N1 1832896455 JAGFNABNSFSVSQ-KGLIPLIRSA-N 481.600 0.065 10 20 JCCD O=C(Cn1ccnn1)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)CC1 1832901506 FFTVTYNYBAUJNZ-OAHLLOKOSA-N 450.590 0.758 10 20 JCCD Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)n(C)n1 1834160753 WPCGILXFJUJSKZ-DEOSSOPVSA-N 480.525 0.591 10 20 JCCD CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1835386646 NEOIHWTXKQBYKJ-QHCPKHFHSA-N 457.531 0.187 10 20 JCCD Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2=NN(c4ccccc4)C(=O)C2)CCO3)o1 1836526637 ZSHJXEBQSWVBOM-HSZRJFAPSA-N 482.497 0.170 10 20 JCCD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1)n1cnnn1 1840479081 KTUPMLDPKDRINC-BLVKFPJESA-N 466.882 0.069 10 20 JCCD CC(=O)O[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1)C(C)C 1783248277 ZGDUXFJMWCIGKC-FQELHTAISA-N 485.628 0.948 10 20 JCCD C[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)CCO2 1783523163 WRZATMULWRHYIX-KPNPRUKOSA-N 493.557 0.744 10 20 JCCD CCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1785447421 ZKHNSJLUWOBULN-CYFREDJKSA-N 469.542 0.914 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1785541659 XBULHNNOZGRAHR-GOSISDBHSA-N 456.496 0.664 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1785545488 YEMWVXYRSLCNFM-HNNXBMFYSA-N 478.478 0.127 10 20 JCCD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1)n1ccnn1 1787540112 FVHIPBUDFAWGBM-DUPRYPCISA-N 465.514 0.612 10 20 JCCD Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)n1 1793910673 PTMKOIMGPYQLCI-YVWYUNDQSA-N 462.597 0.773 10 20 JCCD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)N1CSCSC1 1797846677 GNEGCXJDOWJEQZ-NFFDBFGFSA-N 490.698 0.479 10 20 JCCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)C1CCC(O)CC1 1801133601 NYJVSMJFZSHFFM-HPRTXMDRSA-N 454.527 0.920 10 20 JCCD Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)[C@H]2c2cccnc2)c(=O)nc1O 1814039570 UCOPRXCXCFEDIC-YWZLYKJASA-N 480.481 0.478 10 20 JCCD O=C1C[C@@H](C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2=NN(c4ccccc4)C(=O)C2)CC3)CN1 1825198500 KZGNSXZGANJINO-CHWSQXEVSA-N 466.523 0.984 10 20 JCCD C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1)N1CCN(C)CC1 1828246593 DCZPWWBEMLNYTR-CHWSQXEVSA-N 496.684 0.551 10 20 JCCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1830309241 FHAJGTKHKVHCJV-DEOSSOPVSA-N 481.461 0.983 10 20 JCCD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835297348 HAVKUYYNWQRIKA-BVAGGSTKSA-N 492.532 0.969 10 20 JCCD Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1836525903 CSJFQDDPVSNRDS-JOCHJYFZSA-N 484.538 0.709 10 20 JCCD CC(C)(C)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)[nH]n1 1837994432 LVIZYYAFNNMWDM-OAQYLSRUSA-N 495.627 0.638 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3ncon3)CC2)CC1 1838508459 DIOAWNWDXPUDDJ-UHFFFAOYSA-N 453.546 0.542 10 20 JCCD CC(=O)N/C(=C\c1ccco1)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054875 WCIQADAGGRXLGM-NVNXTCNLSA-N 462.553 0.820 10 20 JCCD CC(C)[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)N[C@]1(C)CCS(=O)(=O)C1 920636019 NYVCMEILDCPPCG-MAUKXSAKSA-N 462.546 0.639 10 20 JCCD COc1ccc(N2CCN(C(=O)COC(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 921177144 AQEQWMKJDLKBKI-UHFFFAOYSA-N 473.507 0.732 10 20 JCCD COc1ccc(C(=O)NC2=S=C(C(=O)NCCS(=O)(=O)C3CCOCC3)C=C2)cc1 1641040577 MSGFQESGUIOIAQ-UHFFFAOYSA-N 452.554 0.740 10 20 JCCD CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785508132 YMWCRIXNNOIXPS-HLKXWXDNSA-N 461.515 0.951 10 20 JCCD CC(C)n1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)n1 1785539647 FRHMOHCGHPWTKI-SFHVURJKSA-N 452.562 0.163 10 20 JCCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21)c1cnn2cccc(F)c12 1790522285 URYHBIHQHZHZJE-NOLJZWGESA-N 491.570 0.927 10 20 JCCD C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21)n1ccnn1 1790643860 DHYMBDOROICVSB-ATTMRTEISA-N 457.487 0.649 10 20 JCCD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4nccc34)C[C@@H]21 1792242014 QSIAATLUNVFVTP-QRTARXTBSA-N 473.580 0.788 10 20 JCCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1cnnc(Cl)c1 1794217983 OEZCMBZLNWTAED-QHBPRCKVSA-N 455.949 0.194 10 20 JCCD Cc1nc2ccccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802103927 IGZRYVUONAGQBY-ZSBFGKGUSA-N 473.580 0.706 10 20 JCCD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1cc(=O)nc2sccn12 1804335861 NUDSNKVBDXVSQF-ZSBIGDGJSA-N 477.593 0.868 10 20 JCCD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1814189018 JEMOKQGOFWDRMQ-KSSFIOAISA-N 459.557 0.239 10 20 JCCD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)COc2ccc(O)nn2)[nH]n1 1823499618 PQVOVDNGUIICOC-LBPRGKRZSA-N 491.555 0.837 10 20 JCCD CN1CCN(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CSC3=S)n[nH]2)CC1 1823500006 JQUPRUGUQPPAJD-HNNXBMFYSA-N 479.632 0.510 10 20 JCCD COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1831623628 BWJCLUYUIIHQNM-HXOBKFHXSA-N 458.515 0.518 10 20 JCCD Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4=NN(c5ccccc5)C(=O)C4)C3)C2)n1 1833088545 KFHOSJSNJAXMGQ-XMMPIXPASA-N 480.525 0.441 10 20 JCCD O=C(c1cccc(N2CCOCC2)c1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419168 WGMKTTHKCIRESK-VWLOTQADSA-N 498.536 0.713 10 20 JCCD C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1836761037 MPTSJLLDIGNRPW-SXGZJXTBSA-N 455.602 0.739 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839961697 FRNWCTLSJMGUOT-SZQGMLEGSA-N 498.532 0.877 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840411190 CYKBXWFQDMJADE-FIYNHDKVSA-N 486.481 0.142 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840880780 LIEPFGFJPCBLRU-KFVKGYIZSA-N 487.465 0.393 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1840895347 QDBUJKLUAHSZPV-IBGZPJMESA-N 486.522 0.290 10 20 JCCD CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)C(C)(C)O 1843251374 YMIYXPLKXDIUKN-MRXNPFEDSA-N 464.519 0.974 10 20 JCCD COc1ccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CC2)cc1 742920342 OGYBWYPILBZDLV-UHFFFAOYSA-N 478.571 0.861 10 20 JCCD COc1ccc(N2CCN(CCCNC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)cc1 916196449 HIRYAXVRJSWUIK-UHFFFAOYSA-N 453.609 0.931 10 20 JCCD COc1ccc(COCC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)cc1 1784100884 SEOIDYNSQMHTQX-JOCHJYFZSA-N 493.607 0.902 10 20 JCCD CC[S@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785505246 FOXKQOXOGOTQNJ-DCOBARIFSA-N 452.529 0.805 10 20 JCCD 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O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@]2(C1)CN(C(=O)C1CC(O)C1)CCO2 1830579958 OXWWRMGOKFNWAE-OGRDWSCISA-N 456.499 0.007 10 20 JCCD Cc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1832637723 SIHJRTQANVYWPQ-QHCPKHFHSA-N 456.499 0.899 10 20 JCCD COc1cc(C(=O)NC2CCN(C3CCN(C(=O)c4cc(O)nc(O)c4)CC3)CC2)nn1C 1836202809 YBPRXXLMLXMRLG-UHFFFAOYSA-N 458.519 0.734 10 20 JCCD Cc1ccn2ncc(C(=O)N3CCO[C@@]4(COCCN(C(=O)c5cc(O)nc(O)c5)C4)C3)c2c1 1836465274 ZQPBJCIXDQQVQQ-HSZRJFAPSA-N 467.482 0.833 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836896507 VUTKPVSKYKLLDX-ISTCRNMPSA-N 495.492 0.630 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839061736 KZAGZVUQJMBQLM-JWZSXRADSA-N 469.494 0.911 10 20 JCCD COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840879781 FPULEBVDVFWWAR-FIYNHDKVSA-N 488.497 0.329 10 20 JCCD C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)C(F)(F)F 1840879883 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CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 23398055 UWNWJRNXPCRSHV-UHFFFAOYSA-N 475.570 0.880 10 20 JCCD C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)C[C@@H](C)O1 919790914 SGJXXUSUKBFFIX-RTBURBONSA-N 481.619 0.704 10 20 JCCD COC(=O)C12CC(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CN3C(=O)CSC3=S)C4)(C1)C2 1781962277 GDPCCSXPKNBHMQ-YXHVEIODSA-N 495.623 0.704 10 20 JCCD CS(=O)(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1782719600 CFUOICKMRCZWGL-OUWGLZAPSA-N 482.555 0.765 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1785539877 FXAAGVFIBGQWET-NRFANRHFSA-N 486.579 0.571 10 20 JCCD O=C(CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1)Nc1ccc(F)cc1 1785545561 ZQIUAKPJFIBRTA-OAQYLSRUSA-N 494.570 0.845 10 20 JCCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C[C@@H]21)c1cc(O)nc(O)c1 1787294129 BSSQIORBLVGRKS-ZKEZPVKKSA-N 496.564 0.722 10 20 JCCD Cc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CSC4=S)[C@H]3C2)s1 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O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1Cc2[nH]nc(C(F)(F)F)c2C1 1800321730 YJGWMYZFRWIKKQ-BMDWNORCSA-N 481.431 0.853 10 20 JCCD CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cc(O)nc(O)c2)CC3)CC1 1814577891 HRGAZXJEEZFDND-AWEZNQCLSA-N 460.560 0.813 10 20 JCCD C[C@@H](O)C(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1829325313 GTNNXXBCVGRTOD-VOIUYBSRSA-N 484.509 0.939 10 20 JCCD Cc1cccc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)n1 1829722387 NTDHSXKMLSAEKJ-NFOSPISASA-N 454.483 0.980 10 20 JCCD CN1CCN(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)c(O)c(Cl)c4)C3)C2)CC1 1835404745 MSOQZNOHEAELEC-HSZRJFAPSA-N 496.992 0.459 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836851389 RQPJAAJPDLHBGB-ISTCRNMPSA-N 495.492 0.630 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838341364 SFVBCGOQNWECNX-KFVKGYIZSA-N 471.466 0.220 10 20 JCCD Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4ccc(O)c(O)c4O)CCO3)C2)n1 1840880981 XBXYVHBBIUJWIO-UUCGHWEQSA-N 470.482 0.685 10 20 JCCD Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)c1 1840896334 UBHYBEFSACGAGV-QFIPXVFZSA-N 477.608 0.854 10 20 JCCD C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896343 UGTMMKFYOBHXLZ-BTYIYWSLSA-N 493.611 0.199 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840897420 BVOMWALAGDRWCF-NRFANRHFSA-N 497.570 0.248 10 20 JCCD C[C@H]1Oc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)nc(O)c5)CCO4)C3)cc2NC1=O 1780174343 CKJSMZDQSCRJPD-ZLOXQWCVSA-N 468.466 0.970 10 20 JCCD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2)c1cncc(O)c1 1782045099 JLLPCWFKTKOHOY-FOIQADDNSA-N 464.569 0.775 10 20 JCCD C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539874 RBFCTTMHKSVZQF-YCRPNKLZSA-N 477.612 0.682 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1785540599 KXRGAZAAMPIWOB-HXUWFJFHSA-N 459.553 0.638 10 20 JCCD C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1)n1ccnc1 1792237401 IPJVEMQMNUUVNH-AJNGGQMLSA-N 451.574 0.284 10 20 JCCD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792899283 KNVKKDMUYAZABZ-XMTFNYHQSA-N 462.547 0.654 10 20 JCCD CC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)C2 1795062371 WWMGWYGEOFTVIF-CLWJZODNSA-N 491.541 0.712 10 20 JCCD CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796141248 UERDITRPLRHWNT-AQMNOWNJSA-N 488.541 0.809 10 20 JCCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799145831 JROBKBRXHSFQBJ-BBYNXYBVSA-N 493.564 0.770 10 20 JCCD CC(=O)N[C@@](C)(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccccc1F 1799407251 UMNSJKNLNJFJAL-OZGBSPNSSA-N 486.500 0.887 10 20 JCCD O=C(NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1)c1cc(O)nc(O)c1 1807995796 IWPZVLPGWFCSDC-YCRPNKLZSA-N 491.508 0.851 10 20 JCCD O=C(Cn1ccncc1=O)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812341299 FBIAUUWJLBCNSM-QVKFZJNVSA-N 450.455 0.464 10 20 JCCD O=C1C[C@H](C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2c2cccnc2)CN1 1814189162 BHHGIAVOYYINMM-SUNYJGFJSA-N 461.569 0.084 10 20 JCCD O=C(Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1)C1=NN(c2ccccc2)C(=O)C1 1818146004 QILPGDDEGFQKKY-QGZVFWFLSA-N 492.496 0.747 10 20 JCCD NC(=O)c1nccnc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(O)nc(O)c2)CC1 1829508806 NEKOEPCQMYFRMR-HNNXBMFYSA-N 454.487 0.929 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCC([C@@H]2CCCCN2C(=O)Cn2nccn2)CC1 1830433860 LFPHGIFFFGESSK-HNNXBMFYSA-N 450.590 0.758 10 20 JCCD COC(OC)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1836791626 GMTDDAMLTGUBRV-UHFFFAOYSA-N 459.590 0.464 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)C1 1840895433 TWQLYLLXULFOPO-QEEYODRMSA-N 453.586 0.349 10 20 JCCD COc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)c1 1840897681 PZXZLXZEWAFNNZ-OAQYLSRUSA-N 497.570 0.765 10 20 JCCD CCOC(=O)c1c(N/C=C2/C(=O)NC(=S)N(CCOC)C2=O)sc(C(=O)NC)c1C 920978678 CVPMFWPTVITIRH-NTMALXAHSA-N 454.530 0.778 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778420658 QSVAOBLUMQHLTP-IBGZPJMESA-N 460.541 0.262 10 20 JCCD C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1779225150 JXIKOFYBCFDTGG-ZZMYJAJDSA-N 457.487 0.574 10 20 JCCD CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1782007270 OJGIXDHQYXGWPX-UTKZUKDTSA-N 484.889 0.690 10 20 JCCD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782958250 AJXLCUZXWIWAKA-DNVCBOLYSA-N 458.920 0.772 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1ccc3c[nH]nc3c1)CCO2 1785539978 IOJRCRXWAPRPCB-FQEVSTJZSA-N 459.553 0.867 10 20 JCCD Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)o1 1788925557 LYHGYKFRMDQEMO-IHRRRGAJSA-N 452.558 0.745 10 20 JCCD O=C(CN1C(=O)CSC1=S)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C[C@@H]21 1792245035 JCUUIMLZVAMTJB-VGWMRTNUSA-N 455.602 0.643 10 20 JCCD O=C1Cc2cccc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CN3C(=O)CSC3=S)C4)c2N1 1800032731 AARITGAGXITMLN-IVWMJMPLSA-N 474.564 0.245 10 20 JCCD C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996101 XWWMDXSEWSJHET-CMPZQBNXSA-N 491.508 0.816 10 20 JCCD O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)C(=O)N1 1824975643 DLVLKMGDHNNNNG-CQSZACIVSA-N 481.600 0.018 10 20 JCCD CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4ccc(O)c(O)c4O)C3)C2)n1 1834410666 CHXJYLVJMAVRIO-FIYNHDKVSA-N 472.498 0.803 10 20 JCCD O=C(NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1)c1cc(CO)on1 1836189869 MJPJCWBEUACKHR-UHFFFAOYSA-N 481.600 0.212 10 20 JCCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccc3[nH]1)CCO2 1839491989 LQCHMNKUSYFXFA-JOCHJYFZSA-N 453.455 0.753 10 20 JCCD Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840895886 RMCHQYOUASVQAL-HXUWFJFHSA-N 482.584 0.151 10 20 JCCD CC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 798008632 OWQPLPKQFNMVNI-UHFFFAOYSA-N 477.539 0.977 10 20 JCCD COCCN1C[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1=O 914664114 SHMQDCFYLPCATH-MRXNPFEDSA-N 477.539 0.962 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778514882 KUWCQRUWMKJYJK-HXUWFJFHSA-N 459.553 0.867 10 20 JCCD O=C(CC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2)Nc1ccc(F)cc1 1780884338 WYRSCNJIGMSUQV-NRFANRHFSA-N 494.570 0.845 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCCS1(=O)=O)C2 1783221534 DKZYAOZZVRBXPD-YMBATADGSA-N 494.566 0.908 10 20 JCCD O=C(Cc1ccc2c(c1)CCO2)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1783424131 CJSBIDHJNQTLRU-JOCHJYFZSA-N 475.592 0.854 10 20 JCCD COc1ccc(COCC(=O)N2CC[C@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)cc1 1784100885 SEOIDYNSQMHTQX-QFIPXVFZSA-N 493.607 0.902 10 20 JCCD C[C@@H](Nc1ccccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792239204 WJGZXRIZDQGKRG-UGUYLWEFSA-N 477.612 0.722 10 20 JCCD CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)cc1C(=O)O 1794433218 DDDUAUKAOCBKGH-IVWMJMPLSA-N 459.459 0.485 10 20 JCCD Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)o1 1796481376 UXDFXZFYZFUSCE-USGNIVHTSA-N 452.471 0.303 10 20 JCCD O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S)c1c(O)cc(O)cc1O 1804335766 KLDFSGZTNSNITH-JGPRNRPPSA-N 451.526 0.916 10 20 JCCD NC(=O)c1nccnc1C(=O)N1CC[C@@H](CNC(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1807994986 MEXHEZIOICNVCR-DJJJIMSYSA-N 463.454 0.410 10 20 JCCD CN(CC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2O)[C@H]1c1cccnc1)C(=O)C(=O)O 1814165887 LTXAVVIEQCMKGT-OWVOHWSCSA-N 498.492 0.461 10 20 JCCD COCCOCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CSC2=S)n[nH]1 1823496612 NCDLBIXBHCFYEA-CYBMUJFWSA-N 455.562 0.925 10 20 JCCD 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Cn1cccc(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2c2cccnc2)c1=O 1803837712 KVSSLJAQUABIPM-HNAYVOBHSA-N 485.591 0.960 10 20 JCCD CN1N=C(C(=O)N2CCCC3(CCN(C(=O)CN4C(=O)CSC4=S)CC3)C2)CCC1=O 1806625557 AXEHBINMEGYGQO-UHFFFAOYSA-N 465.601 0.686 10 20 JCCD CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1807996213 OBAKXARDBBMBLT-AUUYWEPGSA-N 458.544 0.691 10 20 JCCD O=C(COc1ccc(O)nn1)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)c3)sc2C1 1816728964 OTGZEUUAFJUWSI-JTQLQIEISA-N 458.456 0.750 10 20 JCCD O=C(Cn1cnnn1)N[C@@H]1CCc2nc(NC(=O)C3=NN(c4ccccc4)C(=O)C3)sc2C1 1817362947 ZQGRNQDAHBGJIT-GFCCVEGCSA-N 465.499 0.535 10 20 JCCD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1836526230 ORPOMJRJQXEQBP-XMMPIXPASA-N 470.526 0.662 10 20 JCCD CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1837606551 XYSFMRIMZOULHF-LIRRHRJNSA-N 459.590 0.117 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837841088 KMSXXCRTXLEUNJ-SFHVURJKSA-N 485.975 0.060 10 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1785537919 CKQQYNPOWIQZDH-LJQANCHMSA-N 460.541 0.033 10 20 JCCD CC(C)(C)OC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796778835 CGONCVKWTIHIEC-LJDSDSDDSA-N 474.606 0.629 10 20 JCCD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)c2)C3)C1 1797220143 PKLAZAQCTXJAEA-JNNRSPCRSA-N 476.530 0.953 10 20 JCCD Nc1nc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CN3C(=O)CSC3=S)ccc2s1 1802104658 DGPIDLRIIFPHSE-DPIQGUFMSA-N 491.620 0.942 10 20 JCCD CC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814185476 RKHZXQWTVQRLDM-GJYPPUQNSA-N 477.612 0.862 10 20 JCCD O=C1CC[C@H](C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CSC3=S)[nH]n2)CN1 1814527734 SDJFAPLJFOTRGL-AAEUAGOBSA-N 464.573 0.788 10 20 JCCD O=C(Cn1ccccc1=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CSC1=S)CC2 1815453876 UQPNNJTZZACOLT-LLVKDONJSA-N 477.593 0.777 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833560619 MYMKREGTXSYZOT-QGZVFWFLSA-N 474.948 0.258 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1838082512 LJYNGMUUEYRLOT-UHFFFAOYSA-N 495.583 0.360 10 20 JCCD C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1 1839432142 DGTXSPXJGCLNHU-YUNKPMOVSA-N 455.895 0.333 10 20 JCCD C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)c(O)c(Cl)c3)CCO2)C1)N1CCN(C)CC1 1839433664 OOMIQOMVARMLQB-HJPURHCSSA-N 496.992 0.457 10 20 JCCD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839446948 AQESIAICBYBBCU-VWLOTQADSA-N 494.504 0.961 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840881317 OYFGLFOYXYNMBH-JWZSXRADSA-N 499.476 0.711 10 20 JCCD C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1)n1cccn1 1840881954 XAUGAKDIIDSRHH-JCPHUONSSA-N 472.498 0.731 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840895726 ISLBSMPRJWHFHC-CPAJTMIGSA-N 485.628 0.102 10 20 JCCD COc1cscc1C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1840896166 KABKLFMPMOQNCS-LJQANCHMSA-N 485.609 0.687 10 20 JCCD CC(C)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1)C(C)C 1840896245 OCOUHHZPEFRNQH-GHTZIAJQSA-N 486.660 0.326 10 20 JCCD NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)cc2)C1 917930468 SFNUAFVCEIWXHF-HNNXBMFYSA-N 452.558 0.514 10 20 JCCD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3ncccc13)C2)c1cc(O)nc(O)c1 1777848124 JWTKWNOARFUERG-VGOFRKELSA-N 452.471 0.977 10 20 JCCD Cc1cc(C)n(CCC(=O)N2CC[C@@]3(C2)CN(C(=O)CN2C(=O)CSC2=S)CCO3)n1 1784323434 RVWOKOBAXNGWCR-HXUWFJFHSA-N 465.601 0.580 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c3ncccc13)CCO2 1785539969 ICSUGBGHUVMROO-FQEVSTJZSA-N 459.553 0.867 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cccc3c[nH]nc13)CCO2 1785540909 RNQFAGQVFBDYQQ-FQEVSTJZSA-N 459.553 0.867 10 20 JCCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(N4CCOCC4)n3)C[C@@H]21)c1cc(O)nc(O)c1 1787292298 OXMCHJAIOPBOOU-IEZWGBDMSA-N 483.525 0.632 10 20 JCCD CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(c4ccccc4)C(=O)C3)[C@H]2C1 1787541605 WIQWPWUXAOAAOU-UHMOLFJZSA-N 474.583 0.873 10 20 JCCD N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cccnc1 1795684397 BOGDKHAPCGQWFD-YIEUNGGTSA-N 468.510 0.891 10 20 JCCD CC(=O)O[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)C(C)C 1797599097 YJLYBXYREJBEEM-GBCLCFSXSA-N 462.499 0.994 10 20 JCCD O=C(NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1)c1cccc(=O)n1O 1804957574 JEBSHGIUIYZMBR-AUUYWEPGSA-N 487.563 0.661 10 20 JCCD Nc1n[nH]c(CCC(=O)N2CC[C@H](CNC(=O)c3cc(O)nc(O)c3)[C@@H]2c2cccnc2)n1 1807994715 ARDHCVPFZFZNES-YJYMSZOUSA-N 452.475 0.541 10 20 JCCD O=C(Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1)[C@H]1CCCS1(=O)=O 1821837542 MKFJEBKWGYEFIO-QWHCGFSZSA-N 485.613 0.839 10 20 JCCD O=C(CN1C(=O)CSC1=S)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1 1823496393 MFTUVQYWYAXKJT-AWEZNQCLSA-N 466.589 0.594 10 20 JCCD O=C(/C=C/c1cccnc1)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1833106267 YNKFRURBYFYNEN-YEFOHOTDSA-N 476.580 0.412 10 20 JCCD NC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1)c1ccccc1 1835813359 ZFYSCHHTTKEULL-WZONZLPQSA-N 456.499 0.305 10 20 JCCD O=C(CN1CCSCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)c(O)c(Cl)c1)CCO2 1839432299 KBKXPUNQHLDZQN-OAQYLSRUSA-N 485.990 0.870 10 20 JCCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839482101 FHHPNQLKLQGJCX-JOCHJYFZSA-N 498.452 0.661 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1840881861 RYNXDIRDFSLLSG-KJALVYRISA-N 462.499 0.700 10 20 JCCD CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)[C@H](O)C1 1843248815 QNMDPZCKMWJKST-HZPDHXFCSA-N 476.530 0.928 10 20 JCCD NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCS(=O)(=O)N3CCSCC3)cc2)C1 730583090 IPHWGWGMAACLFR-KRWDZBQOSA-N 469.633 0.566 10 20 JCCD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc3ncnn3c1)C2)c1cc(O)nc(O)c1 1777852894 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TWJYWJXXZMHTRX-FAOSVCSCSA-N 462.455 0.304 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)C1 1840895434 TWQLYLLXULFOPO-STXHMFSFSA-N 453.586 0.349 10 20 JCCD Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)cc(O)n1 1840896267 OVDARDCBSNJXSR-FQEVSTJZSA-N 480.568 0.026 10 20 JCCD CC1(C)CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)C1 1840897059 JNSUISKEJGSLIU-HXUWFJFHSA-N 455.602 0.739 10 20 JCCD CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914653561 KOYAIYBTQOANFE-SJLPKXTDSA-N 451.545 0.290 10 20 JCCD NC(=O)[C@H]1CC(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)=NN1c1ccccc1 918944895 IQYHSMAAFOUNRP-OAQYLSRUSA-N 483.500 0.942 10 20 JCCD O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)c1cnc(O)nc1O 1778006893 XZJADBKGQUZNLP-HOYKHHGWSA-N 494.508 0.808 10 20 JCCD C[C@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1779332904 VGJXBBUDPBIBKS-VBKZILBWSA-N 463.585 0.572 10 20 JCCD O=C(C1=NN(c2ccccc2)C(=O)C1)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382517 VBMCVUMUCQUIFG-OAQYLSRUSA-N 467.442 0.554 10 20 JCCD CC1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)CC1 1785539866 QZRNSNRVDIFDIM-HXUWFJFHSA-N 454.618 0.409 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1785541420 ZNWQWRWMYZECPU-LJQANCHMSA-N 460.541 0.033 10 20 JCCD Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)cnn1C 1786187328 WTZNCKJIWVNVTQ-QEJZJMRPSA-N 451.574 0.182 10 20 JCCD O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21)C1=NN(c2ccccc2)C(=O)C1 1787537275 LCXQICHGFRCUNY-QOKNQOGYSA-N 464.482 0.568 10 20 JCCD O=C(CNC(=O)C(F)(F)F)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C[C@@H]21 1791315270 PIKZIJMADUZYRD-CAVCPOLISA-N 487.431 0.475 10 20 JCCD Cc1nc(N)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792238688 OHKUUMHBPWMZAV-SRVKXCTJSA-N 469.614 0.487 10 20 JCCD Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NN(c3ccccc3)C(=O)C2)c2c1CCC2 1796479632 MDNIGQGRLBMVLR-MFKICJERSA-N 476.537 0.905 10 20 JCCD C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2)n1ccccc1=O 1797931663 GGRYJEWZNLQIJL-PRHHBONVSA-N 477.521 0.792 10 20 JCCD O=C(CCc1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1801410837 GHLJMUKOETURLL-SSCBFXTASA-N 454.483 0.829 10 20 JCCD C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)[C@@H]1SC(=N)NC1=O 1802080180 MEOGANBYVABNPD-SLBNEOMKSA-N 490.538 0.209 10 20 JCCD COc1ncc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802103617 CNJXBWIHOYJQNP-CULMDFNYSA-N 484.987 0.807 10 20 JCCD O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CN1 1823839484 CKJQELDCZXSONY-HZPDHXFCSA-N 466.629 0.993 10 20 JCCD O=C(CCc1ccsc1)N1CCO[C@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1836008432 BNHPLODSDRCIQZ-HXUWFJFHSA-N 483.637 0.997 10 20 JCCD O=C(c1cc(O)c(O)c(Cl)c1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1839433187 OXDOJZSHDVVQCY-OXJNMPFZSA-N 488.946 0.398 10 20 JCCD COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)c(O)c(Cl)c4)CCO3)C2)n1 1839434334 ZMZZWODDWZMYKO-QFIPXVFZSA-N 494.932 0.978 10 20 JCCD O=C(CCc1cccc(O)c1)N1CCOC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1840897361 YWPURAUKYDHHAQ-QFIPXVFZSA-N 493.607 0.642 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@@]2(COCCN(C(=O)C3Cc4ccccc4C3)C2)C1 1840897715 SEUBCGDBOKHGMW-QHCPKHFHSA-N 489.619 0.718 10 20 JCCD Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)/C=C/c3ccc(O)c(O)c3O)C2)no1 1847038814 QEJSEWBNFOIYSU-GQCTYLIASA-N 456.455 0.746 10 20 JCCD Cn1nc2c(c1C(=O)NC[C@@]13CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C3)CCC2 1781373241 PQXVSBIOAUJYEU-OPAMFIHVSA-N 491.639 0.897 10 20 JCCD Cc1cc(C)n(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)n1 1785342082 KFLCTTWVHFNATF-JYJNAYRXSA-N 465.601 0.340 10 20 JCCD CSCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1785509980 DUANIVVQVMJISV-VICMMPPISA-N 452.529 0.761 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C(=O)c1cncc3cnccc13)CCO2 1785540660 LVXSASHWBAFXQT-NRFANRHFSA-N 471.564 0.934 10 20 JCCD CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)o1 1785541326 SQJXNHLZSNROLO-LJQANCHMSA-N 466.541 0.542 10 20 JCCD CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C[C@@H]21 1786374675 NRKVAHVRIBKNEI-JISBWUIMSA-N 468.510 0.878 10 20 JCCD C[C@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3O)[C@H]2C1 1792217589 AUTYNPGFCWLLDU-YAUDTOMESA-N 471.514 0.724 10 20 JCCD CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)o1 1797748128 JFVMDLIYRDGTQI-DPIQGUFMSA-N 466.541 0.302 10 20 JCCD CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2O)C3)CC1 1797934588 JVJZMBDRGSERLM-AHAITQMDSA-N 472.542 0.619 10 20 JCCD CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799766942 JUJRMLRWMYNLLW-DLTLXFJOSA-N 499.948 0.840 10 20 JCCD O=C(CCN1CCOCC1)NC[C@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@H]1c1cccnc1 1806951892 SVSPWGUQWFAXEC-VGSWGCGISA-N 455.515 0.930 10 20 JCCD Cn1ccc(=O)cc1C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CSC2=S)[C@H]1c1cccnc1 1811369366 VFGAFNXUEQSTOB-QRWLVFNGSA-N 485.591 0.960 10 20 JCCD C[C@@H](CS(C)(=O)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)CSC2=S)[nH]n1 1815232610 GYKBRNGHQBHRFK-AAEUAGOBSA-N 487.629 0.943 10 20 JCCD O=C(CN1C(=O)CNC1=O)N1CCC([C@@H]2CCCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)CC1 1832876586 IYQLZPXVZZOPOT-UABRLCRWSA-N 486.525 0.988 10 20 JCCD O=C(NC1CCN(C2CCN(C(=O)Cn3ccccc3=O)CC2)CC1)c1cc(O)nc(O)c1 1834986950 MYNXERFZOJNPAI-UHFFFAOYSA-N 455.515 0.540 10 20 JCCD C[C@@H](Cc1ccncc1)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1839658715 NBTLEXXHLCQQNP-QMHKHESXSA-N 456.499 0.837 10 20 JCCD C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1840455377 MKSDMGBEWKNWRK-QVKFZJNVSA-N 494.595 0.166 10 20 JCCD Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880830 NOQFMFFDAGTPMG-DOHLAZSCSA-N 472.498 0.927 10 20 JCCD CNC(=O)Cc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 743432531 OUKWSMADTIPWDV-UHFFFAOYSA-N 453.543 0.861 10 20 JCCD O=C(COc1cc(Cl)ccn1)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CSC1=S)CCO2 1779232239 KUMSTIOFHORGNU-IBGZPJMESA-N 484.987 0.804 10 20 JCCD C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1779537746 OLPJGIALGSGWJR-LRDNONRASA-N 468.601 0.051 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782609098 YQPCIPGGYQONMB-VGOFRKELSA-N 487.607 0.443 10 20 JCCD O=C(Cc1cc([N+](=O)[O-])ccc1F)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538370 YJFLLKHRYKDTAG-FQEVSTJZSA-N 496.542 0.967 10 20 JCCD Cc1cnn([C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CSC4=S)C[C@@H]32)c1 1791598669 VJTYFRHQTFHGGF-VGWMRTNUSA-N 465.601 0.593 10 20 JCCD CC(C)OC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1794314470 SLEGJQAHJWDYKI-CCWDJLKJSA-N 470.482 0.970 10 20 JCCD CCOC(=O)/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796481278 OGEPDZGDSRPROF-VPONZHECSA-N 454.483 0.488 10 20 JCCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2)c1cnc2[nH]ncc2c1 1797350597 FQOCCIVUESTAMN-QAHNQGDTSA-N 465.466 0.991 10 20 JCCD O=C(CN1C(=O)CSC1=S)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCCNC2=O 1797970295 BHZIZPVODBFJPQ-CLLJXQQHSA-N 476.584 0.129 10 20 JCCD CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799766986 KTJPETQUPBHVBY-YGSHXTJESA-N 475.951 0.282 10 20 JCCD CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804331456 DTFBUAXATBFMIZ-LXTVHRRPSA-N 499.659 0.727 10 20 JCCD O=C(CN1C(=O)CSC1=S)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1814184570 BABFSXTZCUVMSW-WWGRRREGSA-N 463.541 0.056 10 20 JCCD O=C(CN1C(=O)CSC1=S)NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1814186225 YKZZHUZJUGBFJU-UGSOOPFHSA-N 472.552 0.757 10 20 JCCD COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CSC2=S)[C@@H]1c1cccnc1 1814188804 AOPZFNCEWIKSAD-BXWFABGCSA-N 493.611 0.099 10 20 JCCD O=C(CN1C(=O)CSC1=S)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCS3(=O)=O)sc2C1 1824941069 UOSIUJXIWJEXPX-SKDRFNHKSA-N 488.638 0.493 10 20 JCCD CC(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(c4ccccc4)C(=O)C3)C2)C1 1830867540 QMVFLNCXQISTBH-NZQKXSOJSA-N 458.515 0.253 10 20 JCCD CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)cn1 1833452247 FFSPIFPSESRZKY-QFIPXVFZSA-N 459.503 0.828 10 20 JCCD CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1837381144 NKGSOAYZZKJHAK-LRTDBIEQSA-N 484.937 0.529 10 20 JCCD O=C(c1cc(O)nc(O)c1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840317230 PFBUGZVYGFGLJG-DENIHFKCSA-N 477.901 0.950 10 20 JCCD C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3C(=O)CSC3=S)C2)C1)n1cccc1 1840356085 XUYSDCCZDDHZEV-FOIQADDNSA-N 466.585 0.366 10 20 JCCD Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c(O)c1 1840670493 OMDDHBWJVYEKNN-NRFANRHFSA-N 479.580 0.631 10 20 JCCD O=C(/C=C/c1ccc(O)c(O)c1O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840881347 PUBCRGSGIFSAGX-GUTGOGNUSA-N 498.532 0.877 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)c2cncn2-c2ccncc2)C1 1842281572 WTKVLDRBUJDZRE-UHFFFAOYSA-N 456.553 0.945 10 20 JCCD O=C(CN1C(=O)CSC1=S)N1CCO[C@]2(CCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1778681465 UTCPTWRQFGNFGX-HXUWFJFHSA-N 459.553 0.867 10 20 JCCD Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)c(C(F)(F)F)n1 1785540977 NXNHZMWXNZZIJC-KRWDZBQOSA-N 491.517 0.743 10 20 JCCD CC(=O)NC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480959 ZDPHBDLFDCKSCN-CWPLJXCYSA-N 455.515 0.284 10 20 JCCD O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2)c1n[nH]c2cccc(F)c12 1800080341 VWCYWRYAXGOOMU-YQYWCBKUSA-N 477.543 0.766 10 20 JCCD N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O)c1cccnc1 1802080344 VCNVSXADOMDLSG-YIEUNGGTSA-N 468.510 0.891 10 20 JCCD 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